N-[[5-(4-methylphenyl)isoquinolin-8-yl]methyl]-2-phenylsulfanyl-ethanamide

Systemtic Name: N-[[5-(4-methylphenyl)isoquinolin-8-yl]methyl]-2-phenylsulfanyl-ethanamide Openeye Name: 2-phenylsulfanyl-N-[[5-(p-tolyl)-8-isoquinolyl]methyl]acetamide CAS Name: N-[[5-(4-methylphenyl)-8-isoquinolinyl]methyl]-2-(phenylthio)acetamide IUPAC Name: N-[[5-(4-methylphenyl)isoquinolin-8-yl]methyl]-2-phenylsulfanylacetamide Traditional Name: 2-(phenylthio)-N-[[5-(p-tolyl)-8-isoquinolyl]methyl]acetamide Formula: C25H22N2OS MolecularWeight: 398.51998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3C=CN=CC3=C(C=C2)CNC(=O)CSC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C=CN=CC3=C(C=C2)CNC(=O)CSC4=CC=CC=C4

InChI

InChI=1S/C25H22N2OS/c1-18-7-9-19(10-8-18)22-12-11-20(24-16-26-14-13-23(22)24)15-27-25(28)17-29-21-5-3-2-4-6-21/h2-14,16H,15,17H2,1H3,(H,27,28)