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

Systemtic Name: 2-[[1-(4-chlorophenyl)-4-cyano-5,6,7,8-tetrahydroisoquinolin-3-yl]sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[[1-(4-chlorophenyl)-4-cyano-5,6,7,8-tetrahydroisoquinolin-3-yl]sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[1-(4-chlorophenyl)-4-cyano-5,6,7,8-tetrahydroisoquinolin-3-yl]thio]-N-phenethylacetamide IUPAC Name: 2-[[1-(4-chlorophenyl)-4-cyano-5,6,7,8-tetrahydroisoquinolin-3-yl]sulfanyl]-N-phenethylacetamide Traditional Name: 2-[[1-(4-chlorophenyl)-4-cyano-5,6,7,8-tetrahydroisoquinolin-3-yl]thio]-N-phenethyl-acetamide Formula: C26H24ClN3OS MolecularWeight: 462.00626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(N=C(C(=C2C1)C#N)SCC(=O)NCCC3=CC=CC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCC2=C(N=C(C(=C2C1)C#N)SCC(=O)NCCC3=CC=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H24ClN3OS/c27-20-12-10-19(11-13-20)25-22-9-5-4-8-21(22)23(16-28)26(30-25)32-17-24(31)29-15-14-18-6-2-1-3-7-18/h1-3,6-7,10-13H,4-5,8-9,14-15,17H2,(H,29,31)