methyl 2-[[2-(1H-benzimidazol-2-yl)ethyl-(phenylmethyl)carbamothioyl]amino]benzoate

Systemtic Name: methyl 2-[[2-(1H-benzimidazol-2-yl)ethyl-(phenylmethyl)carbamothioyl]amino]benzoate Openeye Name: methyl 2-[[2-(1H-benzimidazol-2-yl)ethyl-benzyl-carbamothioyl]amino]benzoate CAS Name: 2-[[[2-(1H-benzimidazol-2-yl)ethyl-(phenylmethyl)amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-(1H-benzimidazol-2-yl)ethyl-benzylcarbamothioyl]amino]benzoate Traditional Name: 2-[[2-(1H-benzimidazol-2-yl)ethyl-benzyl-thiocarbamoyl]amino]benzoic acid methyl ester Formula: C25H24N4O2S MolecularWeight: 444.54866

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=S)N(CCC2=NC3=CC=CC=C3N2)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=S)N(CCC2=NC3=CC=CC=C3N2)CC4=CC=CC=C4

InChI

InChI=1S/C25H24N4O2S/c1-31-24(30)19-11-5-6-12-20(19)28-25(32)29(17-18-9-3-2-4-10-18)16-15-23-26-21-13-7-8-14-22(21)27-23/h2-14H,15-17H2,1H3,(H,26,27)(H,28,32)