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

Systemtic Name: 2-[(4-cyano-1-phenethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(4-methylphenyl)ethanamide Openeye Name: 2-[(4-cyano-1-phenethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(p-tolyl)acetamide CAS Name: 2-[(4-cyano-1-phenethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)thio]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[(4-cyano-1-phenethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(4-methylphenyl)acetamide Traditional Name: 2-[(4-cyano-1-phenethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)thio]-N-(p-tolyl)acetamide Formula: C27H27N3OS MolecularWeight: 441.58778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC2=NC(=C3CCCCC3=C2C#N)CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC2=NC(=C3CCCCC3=C2C#N)CCC4=CC=CC=C4

InChI

InChI=1S/C27H27N3OS/c1-19-11-14-21(15-12-19)29-26(31)18-32-27-24(17-28)22-9-5-6-10-23(22)25(30-27)16-13-20-7-3-2-4-8-20/h2-4,7-8,11-12,14-15H,5-6,9-10,13,16,18H2,1H3,(H,29,31)