methyl 2-[2-[2-(phenylmethylsulfanyl)benzimidazol-1-yl]ethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[2-(phenylmethylsulfanyl)benzimidazol-1-yl]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-(2-benzylsulfanylbenzimidazol-1-yl)acetyl]amino]benzoate CAS Name: 2-[[1-oxo-2-[2-(phenylmethylthio)-1-benzimidazolyl]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-(2-benzylsulfanylbenzimidazol-1-yl)acetyl]amino]benzoate Traditional Name: 2-[[2-[2-(benzylthio)benzimidazol-1-yl]acetyl]amino]benzoic acid methyl ester Formula: C24H21N3O3S MolecularWeight: 431.50684

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CN2C3=CC=CC=C3N=C2SCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CN2C3=CC=CC=C3N=C2SCC4=CC=CC=C4

InChI

InChI=1S/C24H21N3O3S/c1-30-23(29)18-11-5-6-12-19(18)25-22(28)15-27-21-14-8-7-13-20(21)26-24(27)31-16-17-9-3-2-4-10-17/h2-14H,15-16H2,1H3,(H,25,28)