2-(4-cyano-3-ethyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]ethanamide

Systemtic Name: 2-(4-cyano-3-ethyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]ethanamide Openeye Name: 2-(4-cyano-3-ethyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]acetamide CAS Name: 2-[(4-cyano-3-ethyl-1-pyrido[1,2-a]benzimidazolyl)thio]-N-[(1S,2S)-2-methylcyclohexyl]acetamide IUPAC Name: 2-(4-cyano-3-ethylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]acetamide Traditional Name: 2-[(4-cyano-3-ethyl-pyrido[1,2-a]benzimidazol-1-yl)thio]-N-[(1S,2S)-2-methylcyclohexyl]acetamide Formula: C23H26N4OS MolecularWeight: 406.54374

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC(=O)NC4CCCCC4C)C#N

Isomeric SMILES

CCC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC(=O)N[C@H]4CCCC[C@@H]4C)C#N

InChI

InChI=1S/C23H26N4OS/c1-3-16-12-22(29-14-21(28)25-18-9-5-4-8-15(18)2)27-20-11-7-6-10-19(20)26-23(27)17(16)13-24/h6-7,10-12,15,18H,3-5,8-9,14H2,1-2H3,(H,25,28)/t15-,18-/m0/s1