methyl 4-[[3-(1H-benzimidazol-2-yl)phenyl]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 4-[[3-(1H-benzimidazol-2-yl)phenyl]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[[3-(1H-benzimidazol-2-yl)phenyl]carbamothioylcarbamoyl]benzoate CAS Name: 4-[[[[3-(1H-benzimidazol-2-yl)anilino]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(1H-benzimidazol-2-yl)phenyl]carbamothioylcarbamoyl]benzoate Traditional Name: 4-[[3-(1H-benzimidazol-2-yl)phenyl]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C23H18N4O3S MolecularWeight: 430.47902

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4N3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C23H18N4O3S/c1-30-22(29)15-11-9-14(10-12-15)21(28)27-23(31)24-17-6-4-5-16(13-17)20-25-18-7-2-3-8-19(18)26-20/h2-13H,1H3,(H,25,26)(H2,24,27,28,31)