(2S)-2-(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-(3-methylphenyl)propanamide

Systemtic Name: (2S)-2-(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-(3-methylphenyl)propanamide Openeye Name: (2S)-2-(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-(m-tolyl)propanamide CAS Name: (2S)-2-[(4-cyano-3-methyl-1-pyrido[1,2-a]benzimidazolyl)thio]-N-(3-methylphenyl)propanamide IUPAC Name: (2S)-2-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-(3-methylphenyl)propanamide Traditional Name: (2S)-2-[(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)thio]-N-(m-tolyl)propionamide Formula: C23H20N4OS MolecularWeight: 400.4961

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)SC2=CC(=C(C3=NC4=CC=CC=C4N23)C#N)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)[C@H](C)SC2=CC(=C(C3=NC4=CC=CC=C4N23)C#N)C

InChI

InChI=1S/C23H20N4OS/c1-14-7-6-8-17(11-14)25-23(28)16(3)29-21-12-15(2)18(13-24)22-26-19-9-4-5-10-20(19)27(21)22/h4-12,16H,1-3H3,(H,25,28)/t16-/m0/s1