2-[[3-cyano-6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]-N-phenyl-ethanamide

Systemtic Name: 2-[[3-cyano-6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[[3-cyano-6-(1,1-dimethylpropyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[3-cyano-6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydroquinolin-2-yl]thio]-N-phenylacetamide IUPAC Name: 2-[[3-cyano-6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]-N-phenylacetamide Traditional Name: 2-[(6-tert-amyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-phenyl-acetamide Formula: C23H27N3OS MolecularWeight: 393.54498

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC2=C(C1)C=C(C(=N2)SCC(=O)NC3=CC=CC=C3)C#N

Isomeric SMILES

CCC(C)(C)C1CCC2=C(C1)C=C(C(=N2)SCC(=O)NC3=CC=CC=C3)C#N

InChI

InChI=1S/C23H27N3OS/c1-4-23(2,3)18-10-11-20-16(13-18)12-17(14-24)22(26-20)28-15-21(27)25-19-8-6-5-7-9-19/h5-9,12,18H,4,10-11,13,15H2,1-3H3,(H,25,27)