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

Systemtic Name: 2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2,3-dimethylphenyl)propanamide Openeye Name: 2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2,3-dimethylphenyl)propanamide CAS Name: 2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(2,3-dimethylphenyl)propanamide IUPAC Name: 2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2,3-dimethylphenyl)propanamide Traditional Name: 2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(2,3-dimethylphenyl)propionamide Formula: C25H31N3OS MolecularWeight: 421.59814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3OS/c1-15-8-7-9-21(16(15)2)27-23(29)17(3)30-24-19(14-26)12-18-13-20(25(4,5)6)10-11-22(18)28-24/h7-9,12,17,20H,10-11,13H2,1-6H3,(H,27,29)