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

Systemtic Name: (2S)-2-(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-(4-ethylphenyl)propanamide Openeye Name: (2S)-2-(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-(4-ethylphenyl)propanamide CAS Name: (2S)-2-[(4-cyano-3-methyl-1-pyrido[1,2-a]benzimidazolyl)thio]-N-(4-ethylphenyl)propanamide IUPAC Name: (2S)-2-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-(4-ethylphenyl)propanamide Traditional Name: (2S)-2-[(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)thio]-N-(4-ethylphenyl)propionamide Formula: C24H22N4OS MolecularWeight: 414.52268

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)SC2=CC(=C(C3=NC4=CC=CC=C4N23)C#N)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)[C@H](C)SC2=CC(=C(C3=NC4=CC=CC=C4N23)C#N)C

InChI

InChI=1S/C24H22N4OS/c1-4-17-9-11-18(12-10-17)26-24(29)16(3)30-22-13-15(2)19(14-25)23-27-20-7-5-6-8-21(20)28(22)23/h5-13,16H,4H2,1-3H3,(H,26,29)/t16-/m0/s1