2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2-methylquinolin-4-yl)butanamide

Systemtic Name: 2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2-methylquinolin-4-yl)butanamide Openeye Name: 2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2-methyl-4-quinolyl)butanamide CAS Name: 2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(2-methyl-4-quinolinyl)butanamide IUPAC Name: 2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2-methylquinolin-4-yl)butanamide Traditional Name: 2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(2-methyl-4-quinolyl)butyramide Formula: C30H28N4OS MolecularWeight: 492.63452

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=NC2=CC=CC=C21)C)SC3=NC4=C(CC(CC4)C5=CC=CC=C5)C=C3C#N

Isomeric SMILES

CCC(C(=O)NC1=CC(=NC2=CC=CC=C21)C)SC3=NC4=C(CC(CC4)C5=CC=CC=C5)C=C3C#N

InChI

InChI=1S/C30H28N4OS/c1-3-28(29(35)33-27-15-19(2)32-26-12-8-7-11-24(26)27)36-30-23(18-31)17-22-16-21(13-14-25(22)34-30)20-9-5-4-6-10-20/h4-12,15,17,21,28H,3,13-14,16H2,1-2H3,(H,32,33,35)