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

Systemtic Name: 3-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(3,5-dimethylphenyl)propanamide Openeye Name: 3-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(3,5-dimethylphenyl)propanamide CAS Name: 3-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(3,5-dimethylphenyl)propanamide IUPAC Name: 3-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(3,5-dimethylphenyl)propanamide Traditional Name: 3-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(3,5-dimethylphenyl)propionamide Formula: C27H27N3OS MolecularWeight: 441.58778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)CCSC2=NC3=C(CC(CC3)C4=CC=CC=C4)C=C2C#N)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)CCSC2=NC3=C(CC(CC3)C4=CC=CC=C4)C=C2C#N)C

InChI

InChI=1S/C27H27N3OS/c1-18-12-19(2)14-24(13-18)29-26(31)10-11-32-27-23(17-28)16-22-15-21(8-9-25(22)30-27)20-6-4-3-5-7-20/h3-7,12-14,16,21H,8-11,15H2,1-2H3,(H,29,31)