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

Systemtic Name: 2-[[3-cyano-6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]-N,N-diphenyl-butanamide Openeye Name: 2-[[3-cyano-6-(1,1-dimethylpropyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]-N,N-diphenyl-butanamide CAS Name: 2-[[3-cyano-6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydroquinolin-2-yl]thio]-N,N-diphenylbutanamide IUPAC Name: 2-[[3-cyano-6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]-N,N-diphenylbutanamide Traditional Name: 2-[(6-tert-amyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N,N-diphenyl-butyramide Formula: C31H35N3OS MolecularWeight: 497.6941

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N(C1=CC=CC=C1)C2=CC=CC=C2)SC3=NC4=C(CC(CC4)C(C)(C)CC)C=C3C#N

Isomeric SMILES

CCC(C(=O)N(C1=CC=CC=C1)C2=CC=CC=C2)SC3=NC4=C(CC(CC4)C(C)(C)CC)C=C3C#N

InChI

InChI=1S/C31H35N3OS/c1-5-28(30(35)34(25-13-9-7-10-14-25)26-15-11-8-12-16-26)36-29-23(21-32)19-22-20-24(31(3,4)6-2)17-18-27(22)33-29/h7-16,19,24,28H,5-6,17-18,20H2,1-4H3