2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2-ethyl-6-methyl-phenyl)propanamide

Systemtic Name: 2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2-ethyl-6-methyl-phenyl)propanamide Openeye Name: 2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2-ethyl-6-methyl-phenyl)propanamide CAS Name: 2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(2-ethyl-6-methylphenyl)propanamide IUPAC Name: 2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)propanamide Traditional Name: 2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(2-ethyl-6-methyl-phenyl)propionamide Formula: C26H33N3OS MolecularWeight: 435.62472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C(C)SC2=NC3=C(CC(CC3)C(C)(C)C)C=C2C#N)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C(C)SC2=NC3=C(CC(CC3)C(C)(C)C)C=C2C#N)C

InChI

InChI=1S/C26H33N3OS/c1-7-18-10-8-9-16(2)23(18)29-24(30)17(3)31-25-20(15-27)13-19-14-21(26(4,5)6)11-12-22(19)28-25/h8-10,13,17,21H,7,11-12,14H2,1-6H3,(H,29,30)