methyl 4-[[2-(1-phenylbenzimidazol-2-yl)sulfanylethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-(1-phenylbenzimidazol-2-yl)sulfanylethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-(1-phenylbenzimidazol-2-yl)sulfanylacetyl]amino]methyl]benzoate CAS Name: 4-[[[1-oxo-2-[(1-phenyl-2-benzimidazolyl)thio]ethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(1-phenylbenzimidazol-2-yl)sulfanylacetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[(1-phenylbenzimidazol-2-yl)thio]acetyl]amino]methyl]benzoic acid methyl ester Formula: C24H21N3O3S MolecularWeight: 431.50684

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)CSC2=NC3=CC=CC=C3N2C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)CSC2=NC3=CC=CC=C3N2C4=CC=CC=C4

InChI

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