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

Systemtic Name: 2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-phenethylacetamide IUPAC Name: 2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-phenethylacetamide Traditional Name: 2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-phenethyl-acetamide Formula: C26H25N3OS MolecularWeight: 427.5612

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(CC1C3=CC=CC=C3)C=C(C(=N2)SCC(=O)NCCC4=CC=CC=C4)C#N

Isomeric SMILES

C1CC2=C(CC1C3=CC=CC=C3)C=C(C(=N2)SCC(=O)NCCC4=CC=CC=C4)C#N

InChI

InChI=1S/C26H25N3OS/c27-17-23-16-22-15-21(20-9-5-2-6-10-20)11-12-24(22)29-26(23)31-18-25(30)28-14-13-19-7-3-1-4-8-19/h1-10,16,21H,11-15,18H2,(H,28,30)