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

Systemtic Name: [1-[(3-methoxycarbonyl-4,5-dihydrobenzo[g][1]benzothiol-2-yl)amino]-1-oxidanylidene-butan-2-yl] 3H-benzimidazole-5-carboxylate Openeye Name: 1-[(3-methoxycarbonyl-4,5-dihydrobenzo[g]benzothiophen-2-yl)carbamoyl]propyl 3H-benzimidazole-5-carboxylate CAS Name: 3H-benzimidazole-5-carboxylic acid [1-[(3-methoxycarbonyl-4,5-dihydrobenzo[g][1]benzothiol-2-yl)amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[(3-methoxycarbonyl-4,5-dihydrobenzo[g][1]benzothiol-2-yl)amino]-1-oxobutan-2-yl] 3H-benzimidazole-5-carboxylate Traditional Name: 3H-benzimidazole-5-carboxylic acid 1-[(3-carbomethoxy-4,5-dihydrobenzo[g]benzothiophen-2-yl)carbamoyl]propyl ester Formula: C26H23N3O5S MolecularWeight: 489.54292

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C2=C(S1)C3=CC=CC=C3CC2)C(=O)OC)OC(=O)C4=CC5=C(C=C4)N=CN5

Isomeric SMILES

CCC(C(=O)NC1=C(C2=C(S1)C3=CC=CC=C3CC2)C(=O)OC)OC(=O)C4=CC5=C(C=C4)N=CN5

InChI

InChI=1S/C26H23N3O5S/c1-3-20(34-25(31)15-9-11-18-19(12-15)28-13-27-18)23(30)29-24-21(26(32)33-2)17-10-8-14-6-4-5-7-16(14)22(17)35-24/h4-7,9,11-13,20H,3,8,10H2,1-2H3,(H,27,28)(H,29,30)