17754181 -OEChem-10051720133D 35 36 0 0 0 0 0 0 0999 V2000 4.2125 0.9244 0.2635 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.7896 3.4421 -0.6299 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.9254 -3.7059 -0.4320 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.1687 -1.2976 0.4402 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9164 1.8704 1.3302 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4144 0.1054 0.3362 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4678 -2.6540 -0.4169 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2059 1.7567 -1.2288 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5419 0.4513 1.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5179 -0.9515 0.8168 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0905 1.5069 0.4484 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8347 -0.1289 0.0631 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6332 -1.8121 -0.2569 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0016 -1.3974 -0.4928 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5671 0.2979 0.4589 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9009 -2.2389 -0.6528 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4664 -0.5437 0.2989 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7013 1.7365 -0.8182 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0376 2.3650 0.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8199 -2.4882 -0.1148 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0924 2.7615 -1.5082 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8912 0.4710 2.3005 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5575 0.6887 1.7549 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1680 -1.0052 -0.0635 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8699 -1.6612 1.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9784 -1.7477 -0.8139 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4150 1.2837 0.8901 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0454 -3.2241 -1.0888 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4633 -0.1274 0.6444 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2478 -3.5577 -0.8307 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5471 1.1858 -1.2097 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3982 2.4153 1.5486 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3508 3.1436 -2.4857 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9524 1.5383 -1.8999 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9300 2.7463 -1.2216 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 8 1 0 0 0 0 1 12 1 0 0 0 0 2 19 1 0 0 0 0 2 21 1 0 0 0 0 3 20 2 0 0 0 0 4 10 1 0 0 0 0 4 20 1 0 0 0 0 7 13 1 0 0 0 0 7 20 1 0 0 0 0 7 30 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 18 1 0 0 0 0 11 19 2 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 14 16 1 0 0 0 0 14 26 1 0 0 0 0 15 17 2 0 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0 17 29 1 0 0 0 0 18 21 2 0 0 0 0 18 31 1 0 0 0 0 19 32 1 0 0 0 0 21 33 1 0 0 0 0 M END > DB03333 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/NXMUSVRWCFYOTJ-UHFFFAOYSA-N/SDF?record_type=3d > NS(=O)(=O)C1=CC=C(NC(=S)OCCC2=CSC=C2)C=C1 > InChI=1S/C13H14N2O3S3/c14-21(16,17)12-3-1-11(2-4-12)15-13(19)18-7-5-10-6-8-20-9-10/h1-4,6,8-9H,5,7H2,(H,15,19)(H2,14,16,17) > NXMUSVRWCFYOTJ-UHFFFAOYSA-N > C13H14N2O3S3 > 342.457 > 342.016654394 > 3 > 35 > -0.7246432738014498 > 34.35532269496511 > 1 > 2 > 0 > 1 > N-(4-sulfamoylphenyl)[2-(thiophen-3-yl)ethoxy]carbothioamide > 3.22 > 3.119723948666666 > -4.83 > 0 > -1 > 2 > -1 > 10.511219889713356 > 6.580441842331828 > -2.2297530682748206 > 81.42 > 89.16680000000001 > 6 > 1 > 5.12e-03 g/l > biotin > 0 $$$$