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

Systemtic Name: 2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N,N-diphenyl-butanamide Openeye Name: 2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N,N-diphenyl-butanamide CAS Name: 2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N,N-diphenylbutanamide IUPAC Name: 2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N,N-diphenylbutanamide Traditional Name: 2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N,N-diphenyl-butyramide Formula: C27H27N3OS MolecularWeight: 441.58778

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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=C3C#N

Isomeric SMILES

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

InChI

InChI=1S/C27H27N3OS/c1-3-25(32-26-21(18-28)17-20-16-19(2)14-15-24(20)29-26)27(31)30(22-10-6-4-7-11-22)23-12-8-5-9-13-23/h4-13,17,19,25H,3,14-16H2,1-2H3