8708 -OEChem-10061700323D 43 44 0 0 0 0 0 0 0999 V2000 -3.6573 -1.4578 0.3966 S 0 0 0 0 0 0 0 0 0 0 0 0 1.5181 -0.9106 0.1718 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0420 0.1098 -0.1544 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7976 0.0647 0.0089 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6621 1.0294 -0.2858 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9082 -0.7605 0.1192 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3038 -0.6170 0.0061 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0192 1.2824 0.7236 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5984 -0.0174 -0.0898 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3591 -1.8371 -0.8898 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1538 2.2347 0.4072 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2567 -0.4078 0.0522 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1285 -0.6949 0.1656 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3336 0.6395 -0.1981 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8402 -1.2382 0.2963 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0776 0.9224 -0.3112 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2078 1.4567 -0.4393 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4391 0.0119 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5396 1.2925 -0.3168 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6311 -1.1029 0.3337 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9427 -1.1747 1.1362 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8771 -1.6195 -0.5602 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1486 0.0107 -0.2961 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4713 -0.9181 1.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1202 1.8825 0.5618 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0481 1.0029 1.7842 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5533 0.3475 -1.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5097 0.8010 0.6292 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7391 -2.6590 -0.5186 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0630 -1.6023 -1.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3861 -2.2180 -0.9275 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1208 1.8683 0.7654 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2268 2.4388 -0.6666 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9811 3.1938 0.9091 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6981 -2.2770 0.5795 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8888 1.6129 -0.5163 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3379 2.4971 -0.7243 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8874 2.1690 -0.3888 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2845 1.5011 0.4586 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0544 1.1708 -1.2754 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4505 -1.4405 1.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4481 -1.9247 -0.3672 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6969 -0.8570 0.2607 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 18 1 0 0 0 0 2 9 1 0 0 0 0 2 12 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 4 18 1 0 0 0 0 4 19 1 0 0 0 0 4 20 1 0 0 0 0 5 14 1 0 0 0 0 5 18 2 0 0 0 0 6 9 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 10 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 11 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 14 17 1 0 0 0 0 15 35 1 0 0 0 0 16 17 2 0 0 0 0 16 36 1 0 0 0 0 17 37 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 M END > DB13858 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/WGMYEOIMVYADRJ-UHFFFAOYSA-N/SDF?record_type=3d > CCN(CC)CCOC1=CC2=C(C=C1)N=C(S2)N(C)C > InChI=1S/C15H23N3OS/c1-5-18(6-2)9-10-19-12-7-8-13-14(11-12)20-15(16-13)17(3)4/h7-8,11H,5-6,9-10H2,1-4H3 > WGMYEOIMVYADRJ-UHFFFAOYSA-N > C15H23N3OS > 293.43 > 293.156183547 > 4 > 43 > 34.42078626788442 > 1 > 0 > 0 > 1 > 6-[2-(diethylamino)ethoxy]-N,N-dimethyl-1,3-benzothiazol-2-amine > 3.57 > 3.4803547950000002 > -3.32 > 0 > 2 > 1 > 9.281330161545819 > 28.600000000000005 > 85.0101 > 7 > 1 > 1.39e-01 g/l > 6-[2-(diethylamino)ethoxy]-N,N-dimethyl-1,3-benzothiazol-2-amine > 1 $$$$