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

Systemtic Name: 2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-phenethylacetamide IUPAC Name: 2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-phenethylacetamide Traditional Name: 2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-phenethyl-acetamide Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(C(=N2)SCC(=O)NCCC3=CC=CC=C3)C#N

Isomeric SMILES

CC1CCC2=C(C1)C=C(C(=N2)SCC(=O)NCCC3=CC=CC=C3)C#N

InChI

InChI=1S/C21H23N3OS/c1-15-7-8-19-17(11-15)12-18(13-22)21(24-19)26-14-20(25)23-10-9-16-5-3-2-4-6-16/h2-6,12,15H,7-11,14H2,1H3,(H,23,25)