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

Systemtic Name: 2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(3,5-dimethylphenyl)butanamide Openeye Name: 2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(3,5-dimethylphenyl)butanamide CAS Name: 2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(3,5-dimethylphenyl)butanamide IUPAC Name: 2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(3,5-dimethylphenyl)butanamide Traditional Name: 2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(3,5-dimethylphenyl)butyramide Formula: C28H29N3OS MolecularWeight: 455.61436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=CC(=C1)C)C)SC2=NC3=C(CC(CC3)C4=CC=CC=C4)C=C2C#N

Isomeric SMILES

CCC(C(=O)NC1=CC(=CC(=C1)C)C)SC2=NC3=C(CC(CC3)C4=CC=CC=C4)C=C2C#N

InChI

InChI=1S/C28H29N3OS/c1-4-26(27(32)30-24-13-18(2)12-19(3)14-24)33-28-23(17-29)16-22-15-21(10-11-25(22)31-28)20-8-6-5-7-9-20/h5-9,12-14,16,21,26H,4,10-11,15H2,1-3H3,(H,30,32)