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

Systemtic Name: 2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(3,4-dimethylphenyl)propanamide Openeye Name: 2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(3,4-dimethylphenyl)propanamide CAS Name: 2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(3,4-dimethylphenyl)propanamide IUPAC Name: 2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(3,4-dimethylphenyl)propanamide Traditional Name: 2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(3,4-dimethylphenyl)propionamide Formula: C27H27N3OS MolecularWeight: 441.58778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)SC2=NC3=C(CC(CC3)C4=CC=CC=C4)C=C2C#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C)SC2=NC3=C(CC(CC3)C4=CC=CC=C4)C=C2C#N)C

InChI

InChI=1S/C27H27N3OS/c1-17-9-11-24(13-18(17)2)29-26(31)19(3)32-27-23(16-28)15-22-14-21(10-12-25(22)30-27)20-7-5-4-6-8-20/h4-9,11,13,15,19,21H,10,12,14H2,1-3H3,(H,29,31)