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

Systemtic Name: 2-(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N,N-dicyclohexyl-ethanamide Openeye Name: 2-(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N,N-dicyclohexyl-acetamide CAS Name: 2-[(4-cyano-3-methyl-1-pyrido[1,2-a]benzimidazolyl)thio]-N,N-dicyclohexylacetamide IUPAC Name: 2-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N,N-dicyclohexylacetamide Traditional Name: 2-[(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)thio]-N,N-dicyclohexyl-acetamide Formula: C27H32N4OS MolecularWeight: 460.63418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC(=O)N(C4CCCCC4)C5CCCCC5)C#N

Isomeric SMILES

CC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC(=O)N(C4CCCCC4)C5CCCCC5)C#N

InChI

InChI=1S/C27H32N4OS/c1-19-16-26(31-24-15-9-8-14-23(24)29-27(31)22(19)17-28)33-18-25(32)30(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h8-9,14-16,20-21H,2-7,10-13,18H2,1H3