methyl 2-[2-[1-(phenylmethyl)benzimidazol-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[1-(phenylmethyl)benzimidazol-2-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 2-[[2-(1-benzylbenzimidazol-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 2-[[1-oxo-2-[[1-(phenylmethyl)-2-benzimidazolyl]thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-(1-benzylbenzimidazol-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[(1-benzylbenzimidazol-2-yl)thio]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)CSC2=NC3=CC=CC=C3N2CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CSC2=NC3=CC=CC=C3N2CC4=CC=CC=C4

InChI

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