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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3OS/c1-16-6-7-17(2)22(12-16)27-23(29)10-11-30-24-19(15-26)13-18-14-20(25(3,4)5)8-9-21(18)28-24/h6-7,12-13,20H,8-11,14H2,1-5H3,(H,27,29)