2-[[3-cyano-4-(2-methylpropyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]-N-naphthalen-2-yl-ethanamide

Systemtic Name: 2-[[3-cyano-4-(2-methylpropyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]-N-naphthalen-2-yl-ethanamide Openeye Name: 2-[(3-cyano-4-isobutyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2-naphthyl)acetamide CAS Name: 2-[[3-cyano-4-(2-methylpropyl)-5,6,7,8-tetrahydroquinolin-2-yl]thio]-N-(2-naphthalenyl)acetamide IUPAC Name: 2-[[3-cyano-4-(2-methylpropyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]-N-naphthalen-2-ylacetamide Traditional Name: 2-[(3-cyano-4-isobutyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(2-naphthyl)acetamide Formula: C26H27N3OS MolecularWeight: 429.57708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C(=NC2=C1CCCC2)SCC(=O)NC3=CC4=CC=CC=C4C=C3)C#N

Isomeric SMILES

CC(C)CC1=C(C(=NC2=C1CCCC2)SCC(=O)NC3=CC4=CC=CC=C4C=C3)C#N

InChI

InChI=1S/C26H27N3OS/c1-17(2)13-22-21-9-5-6-10-24(21)29-26(23(22)15-27)31-16-25(30)28-20-12-11-18-7-3-4-8-19(18)14-20/h3-4,7-8,11-12,14,17H,5-6,9-10,13,16H2,1-2H3,(H,28,30)