2-[(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-phenyl-ethanamide

Systemtic Name: 2-[(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-phenyl-acetamide CAS Name: 2-[(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)thio]-N-phenylacetamide IUPAC Name: 2-[(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-phenylacetamide Traditional Name: 2-[(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)thio]-N-phenyl-acetamide Formula: C24H21N3OS MolecularWeight: 399.50804

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(N=C(C(=C2C1)C#N)SCC(=O)NC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(N=C(C(=C2C1)C#N)SCC(=O)NC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H21N3OS/c25-15-21-19-13-7-8-14-20(19)23(17-9-3-1-4-10-17)27-24(21)29-16-22(28)26-18-11-5-2-6-12-18/h1-6,9-12H,7-8,13-14,16H2,(H,26,28)