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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C3C=CN=CC3=C(C=C2)CNC(=O)CSC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1C2=C3C=CN=CC3=C(C=C2)CNC(=O)CSC4=CC=CC=C4

InChI

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