2-(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-(2,6-diethylphenyl)ethanamide

Systemtic Name: 2-(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-(2,6-diethylphenyl)ethanamide Openeye Name: 2-(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-(2,6-diethylphenyl)acetamide CAS Name: 2-[(4-cyano-3-methyl-1-pyrido[1,2-a]benzimidazolyl)thio]-N-(2,6-diethylphenyl)acetamide IUPAC Name: 2-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-(2,6-diethylphenyl)acetamide Traditional Name: 2-[(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)thio]-N-(2,6-diethylphenyl)acetamide Formula: C25H24N4OS MolecularWeight: 428.54926

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=CC(=C(C3=NC4=CC=CC=C4N23)C#N)C

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=CC(=C(C3=NC4=CC=CC=C4N23)C#N)C

InChI

InChI=1S/C25H24N4OS/c1-4-17-9-8-10-18(5-2)24(17)28-22(30)15-31-23-13-16(3)19(14-26)25-27-20-11-6-7-12-21(20)29(23)25/h6-13H,4-5,15H2,1-3H3,(H,28,30)