2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(3,4-dimethylphenyl)butanamide

Systemtic Name: 2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(3,4-dimethylphenyl)butanamide Openeye Name: 2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(3,4-dimethylphenyl)butanamide CAS Name: 2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(3,4-dimethylphenyl)butanamide IUPAC Name: 2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(3,4-dimethylphenyl)butanamide Traditional Name: 2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(3,4-dimethylphenyl)butyramide Formula: C26H33N3OS MolecularWeight: 435.62472

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=C(C=C1)C)C)SC2=NC3=C(CC(CC3)C(C)(C)C)C=C2C#N

Isomeric SMILES

CCC(C(=O)NC1=CC(=C(C=C1)C)C)SC2=NC3=C(CC(CC3)C(C)(C)C)C=C2C#N

InChI

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