(2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-methyl-N-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]propanamide

Systemtic Name: (2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-methyl-N-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]propanamide Openeye Name: (2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-methyl-N-[2-(4-methylanilino)-2-oxo-ethyl]propanamide CAS Name: (2R)-2-(1H-benzimidazol-2-ylthio)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide IUPAC Name: (2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide Traditional Name: (2R)-2-(1H-benzimidazol-2-ylthio)-N-[2-keto-2-(p-toluidino)ethyl]-N-methyl-propionamide Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)C(C)SC2=NC3=CC=CC=C3N2

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)[C@@H](C)SC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C20H22N4O2S/c1-13-8-10-15(11-9-13)21-18(25)12-24(3)19(26)14(2)27-20-22-16-6-4-5-7-17(16)23-20/h4-11,14H,12H2,1-3H3,(H,21,25)(H,22,23)/t14-/m1/s1