N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxy-phenyl]-2-methylsulfanyl-benzamide

Systemtic Name: N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxy-phenyl]-2-methylsulfanyl-benzamide Openeye Name: N-[2-[(6,7-dimethoxy-1-isoquinolyl)methyl]-4,5-dimethoxy-phenyl]-2-methylsulfanyl-benzamide CAS Name: N-[2-[(6,7-dimethoxy-1-isoquinolinyl)methyl]-4,5-dimethoxyphenyl]-2-(methylthio)benzamide IUPAC Name: N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]-2-methylsulfanylbenzamide Traditional Name: N-[2-[(6,7-dimethoxy-1-isoquinolyl)methyl]-4,5-dimethoxy-phenyl]-2-(methylthio)benzamide Formula: C28H28N2O5S MolecularWeight: 504.59732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=CN=C2CC3=CC(=C(C=C3NC(=O)C4=CC=CC=C4SC)OC)OC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=CN=C2CC3=CC(=C(C=C3NC(=O)C4=CC=CC=C4SC)OC)OC)OC

InChI

InChI=1S/C28H28N2O5S/c1-32-23-13-17-10-11-29-22(20(17)15-25(23)34-3)12-18-14-24(33-2)26(35-4)16-21(18)30-28(31)19-8-6-7-9-27(19)36-5/h6-11,13-16H,12H2,1-5H3,(H,30,31)