methyl 4-[[2-(1H-benzimidazol-2-ylsulfanyl)propanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-(1H-benzimidazol-2-ylsulfanyl)propanoylamino]methyl]benzoate Openeye Name: methyl 4-[[2-(1H-benzimidazol-2-ylsulfanyl)propanoylamino]methyl]benzoate CAS Name: 4-[[[2-(1H-benzimidazol-2-ylthio)-1-oxopropyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(1H-benzimidazol-2-ylsulfanyl)propanoylamino]methyl]benzoate Traditional Name: 4-[[2-(1H-benzimidazol-2-ylthio)propanoylamino]methyl]benzoic acid methyl ester Formula: C19H19N3O3S MolecularWeight: 369.43746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)C(=O)OC)SC2=NC3=CC=CC=C3N2

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)C(=O)OC)SC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C19H19N3O3S/c1-12(26-19-21-15-5-3-4-6-16(15)22-19)17(23)20-11-13-7-9-14(10-8-13)18(24)25-2/h3-10,12H,11H2,1-2H3,(H,20,23)(H,21,22)