(2S)-N-(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)-2-(4-methylphenyl)sulfanyl-propanamide

Systemtic Name: (2S)-N-(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)-2-(4-methylphenyl)sulfanyl-propanamide Openeye Name: (2S)-N-(1,3-dimethyl-2-oxo-benzimidazol-5-yl)-2-(p-tolylsulfanyl)propanamide CAS Name: (2S)-N-(1,3-dimethyl-2-oxo-5-benzimidazolyl)-2-[(4-methylphenyl)thio]propanamide IUPAC Name: (2S)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-methylphenyl)sulfanylpropanamide Traditional Name: (2S)-N-(2-keto-1,3-dimethyl-benzimidazol-5-yl)-2-(p-tolylthio)propionamide Formula: C19H21N3O2S MolecularWeight: 355.45394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(C)C(=O)NC2=CC3=C(C=C2)N(C(=O)N3C)C

Isomeric SMILES

CC1=CC=C(C=C1)S[C@@H](C)C(=O)NC2=CC3=C(C=C2)N(C(=O)N3C)C

InChI

InChI=1S/C19H21N3O2S/c1-12-5-8-15(9-6-12)25-13(2)18(23)20-14-7-10-16-17(11-14)22(4)19(24)21(16)3/h5-11,13H,1-4H3,(H,20,23)/t13-/m0/s1