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

Systemtic Name: 2-[[3-cyano-4-(2-methylpropyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[(3-cyano-4-isobutyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[3-cyano-4-(2-methylpropyl)-5,6,7,8-tetrahydroquinolin-2-yl]thio]-N-phenylacetamide IUPAC Name: 2-[[3-cyano-4-(2-methylpropyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]-N-phenylacetamide Traditional Name: 2-[(3-cyano-4-isobutyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-phenyl-acetamide Formula: C22H25N3OS MolecularWeight: 379.5184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3OS/c1-15(2)12-18-17-10-6-7-11-20(17)25-22(19(18)13-23)27-14-21(26)24-16-8-4-3-5-9-16/h3-5,8-9,15H,6-7,10-12,14H2,1-2H3,(H,24,26)