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

Systemtic Name: N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxy-phenyl]-2-(phenylmethylsulfanyl)benzamide Openeye Name: 2-benzylsulfanyl-N-[2-[(6,7-dimethoxy-1-isoquinolyl)methyl]-4,5-dimethoxy-phenyl]benzamide CAS Name: N-[2-[(6,7-dimethoxy-1-isoquinolinyl)methyl]-4,5-dimethoxyphenyl]-2-(phenylmethylthio)benzamide IUPAC Name: 2-benzylsulfanyl-N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]benzamide Traditional Name: 2-(benzylthio)-N-[2-[(6,7-dimethoxy-1-isoquinolyl)methyl]-4,5-dimethoxy-phenyl]benzamide Formula: C34H32N2O5S MolecularWeight: 580.69328

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=CN=C2CC3=CC(=C(C=C3NC(=O)C4=CC=CC=C4SCC5=CC=CC=C5)OC)OC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=CN=C2CC3=CC(=C(C=C3NC(=O)C4=CC=CC=C4SCC5=CC=CC=C5)OC)OC)OC

InChI

InChI=1S/C34H32N2O5S/c1-38-29-17-23-14-15-35-28(26(23)19-31(29)40-3)16-24-18-30(39-2)32(41-4)20-27(24)36-34(37)25-12-8-9-13-33(25)42-21-22-10-6-5-7-11-22/h5-15,17-20H,16,21H2,1-4H3,(H,36,37)