N-[[5-(3,4-dimethoxyphenyl)isoquinolin-8-yl]methyl]-2-phenylsulfanyl-ethanamide

Systemtic Name: N-[[5-(3,4-dimethoxyphenyl)isoquinolin-8-yl]methyl]-2-phenylsulfanyl-ethanamide Openeye Name: N-[[5-(3,4-dimethoxyphenyl)-8-isoquinolyl]methyl]-2-phenylsulfanyl-acetamide CAS Name: N-[[5-(3,4-dimethoxyphenyl)-8-isoquinolinyl]methyl]-2-(phenylthio)acetamide IUPAC Name: N-[[5-(3,4-dimethoxyphenyl)isoquinolin-8-yl]methyl]-2-phenylsulfanylacetamide Traditional Name: N-[[5-(3,4-dimethoxyphenyl)-8-isoquinolyl]methyl]-2-(phenylthio)acetamide Formula: C26H24N2O3S MolecularWeight: 444.54536

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C3C=CN=CC3=C(C=C2)CNC(=O)CSC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C3C=CN=CC3=C(C=C2)CNC(=O)CSC4=CC=CC=C4)OC

InChI

InChI=1S/C26H24N2O3S/c1-30-24-11-9-18(14-25(24)31-2)21-10-8-19(23-16-27-13-12-22(21)23)15-28-26(29)17-32-20-6-4-3-5-7-20/h3-14,16H,15,17H2,1-2H3,(H,28,29)