5484 -OEChem-10061700233D 35 37 0 1 0 0 0 0 0999 V2000 0.0966 2.2379 1.4395 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.7084 -0.7624 -1.3370 S 0 0 0 0 0 0 0 0 0 0 0 0 2.9882 -0.7155 0.2868 N 0 0 2 0 0 0 0 0 0 0 0 0 0.5441 -2.1338 -0.5239 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6220 -2.7770 0.3478 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6245 -0.6349 -0.4153 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0051 -2.1722 0.0791 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0090 -0.0627 -0.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4476 0.1275 -0.1564 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3225 -0.1529 0.0796 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2702 1.5592 -0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7262 -0.5212 0.0247 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3625 2.4637 -1.0781 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2627 -0.9787 1.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1221 3.7843 -0.6003 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5441 -1.5590 0.9579 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1404 3.8054 0.7519 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9085 -1.5078 -0.3695 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4138 -2.5793 -0.2477 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7188 -2.4109 -1.5719 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3646 -2.6477 1.4074 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6526 -3.8560 0.1569 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7204 -2.6368 0.7684 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3253 -2.4198 -0.9416 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2959 -0.2158 -1.6505 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0713 1.0147 -0.4338 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0423 -0.6061 0.7703 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3243 0.9228 0.2882 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6827 -0.3071 -0.9439 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5874 2.2204 -2.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7852 -0.9151 2.1537 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1406 4.6735 -1.2169 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1669 -1.9923 1.7297 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 4.6664 1.3686 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8220 -1.8726 -0.8174 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 17 1 0 0 0 0 2 12 1 0 0 0 0 2 18 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 10 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 19 1 0 0 0 0 4 20 1 0 0 0 0 5 7 1 0 0 0 0 5 21 1 0 0 0 0 5 22 1 0 0 0 0 6 8 1 0 0 0 0 6 9 2 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 13 2 0 0 0 0 12 14 2 0 0 0 0 13 15 1 0 0 0 0 13 30 1 0 0 0 0 14 16 1 0 0 0 0 14 31 1 0 0 0 0 15 17 2 0 0 0 0 15 32 1 0 0 0 0 16 18 2 0 0 0 0 16 33 1 0 0 0 0 17 34 1 0 0 0 0 18 35 1 0 0 0 0 M END > DB13474 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/JWIXXNLOKOAAQT-UHFFFAOYSA-N/SDF?record_type=3d > CN1CCCC(C1)=C(C1=CC=CS1)C1=CC=CS1 > InChI=1S/C15H17NS2/c1-16-8-2-5-12(11-16)15(13-6-3-9-17-13)14-7-4-10-18-14/h3-4,6-7,9-10H,2,5,8,11H2,1H3 > JWIXXNLOKOAAQT-UHFFFAOYSA-N > C15H17NS2 > 275.43 > 275.080241899 > 1 > 35 > 30.576134773959883 > 1 > 0 > 0 > 1 > 3-[bis(thiophen-2-yl)methylidene]-1-methylpiperidine > 4.08 > 3.997916633666666 > -3.35 > 0 > 3 > 1 > 7.844354583915872 > 3.24 > 89.40319999999998 > 2 > 1 > 1.22e-01 g/l > tipepidine > 1 $$$$