[1-[(3-ethoxycarbonyl-4,5-dihydrobenzo[g][1]benzothiol-2-yl)amino]-1-oxidanylidene-butan-2-yl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate

Systemtic Name: [1-[(3-ethoxycarbonyl-4,5-dihydrobenzo[g][1]benzothiol-2-yl)amino]-1-oxidanylidene-butan-2-yl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate Openeye Name: 1-[(3-ethoxycarbonyl-4,5-dihydrobenzo[g]benzothiophen-2-yl)carbamoyl]propyl 2-(3-pyridyl)-3H-benzimidazole-5-carboxylate CAS Name: 2-(3-pyridinyl)-3H-benzimidazole-5-carboxylic acid [1-[(3-ethoxycarbonyl-4,5-dihydrobenzo[g][1]benzothiol-2-yl)amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[(3-ethoxycarbonyl-4,5-dihydrobenzo[g][1]benzothiol-2-yl)amino]-1-oxobutan-2-yl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate Traditional Name: 2-(3-pyridyl)-3H-benzimidazole-5-carboxylic acid 1-[(3-carbethoxy-4,5-dihydrobenzo[g]benzothiophen-2-yl)carbamoyl]propyl ester Formula: C32H28N4O5S MolecularWeight: 580.65352

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C2=C(S1)C3=CC=CC=C3CC2)C(=O)OCC)OC(=O)C4=CC5=C(C=C4)N=C(N5)C6=CN=CC=C6

Isomeric SMILES

CCC(C(=O)NC1=C(C2=C(S1)C3=CC=CC=C3CC2)C(=O)OCC)OC(=O)C4=CC5=C(C=C4)N=C(N5)C6=CN=CC=C6

InChI

InChI=1S/C32H28N4O5S/c1-3-25(41-31(38)19-12-14-23-24(16-19)35-28(34-23)20-9-7-15-33-17-20)29(37)36-30-26(32(39)40-4-2)22-13-11-18-8-5-6-10-21(18)27(22)42-30/h5-10,12,14-17,25H,3-4,11,13H2,1-2H3,(H,34,35)(H,36,37)