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

Systemtic Name: methyl 2-[[2-(1H-benzimidazol-2-yl)ethyl-cyclopentyl-carbamothioyl]amino]benzoate Openeye Name: methyl 2-[[2-(1H-benzimidazol-2-yl)ethyl-cyclopentyl-carbamothioyl]amino]benzoate CAS Name: 2-[[[2-(1H-benzimidazol-2-yl)ethyl-cyclopentylamino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-(1H-benzimidazol-2-yl)ethyl-cyclopentylcarbamothioyl]amino]benzoate Traditional Name: 2-[[2-(1H-benzimidazol-2-yl)ethyl-cyclopentyl-thiocarbamoyl]amino]benzoic acid methyl ester Formula: C23H26N4O2S MolecularWeight: 422.54314

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=S)N(CCC2=NC3=CC=CC=C3N2)C4CCCC4

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=S)N(CCC2=NC3=CC=CC=C3N2)C4CCCC4

InChI

InChI=1S/C23H26N4O2S/c1-29-22(28)17-10-4-5-11-18(17)26-23(30)27(16-8-2-3-9-16)15-14-21-24-19-12-6-7-13-20(19)25-21/h4-7,10-13,16H,2-3,8-9,14-15H2,1H3,(H,24,25)(H,26,30)