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

Systemtic Name: 2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]butanamide Openeye Name: 2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]butanamide CAS Name: 2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-[(4-methoxyphenyl)methyl]butanamide IUPAC Name: 2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]butanamide Traditional Name: 2-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-p-anisyl-butyramide Formula: C26H33N3O2S MolecularWeight: 451.62412

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CC=C(C=C1)OC)SC2=NC3=C(CC(CC3)C(C)(C)C)C=C2C#N

Isomeric SMILES

CCC(C(=O)NCC1=CC=C(C=C1)OC)SC2=NC3=C(CC(CC3)C(C)(C)C)C=C2C#N

InChI

InChI=1S/C26H33N3O2S/c1-6-23(24(30)28-16-17-7-10-21(31-5)11-8-17)32-25-19(15-27)13-18-14-20(26(2,3)4)9-12-22(18)29-25/h7-8,10-11,13,20,23H,6,9,12,14,16H2,1-5H3,(H,28,30)