N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxy-phenyl]-2-pyridin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxy-phenyl]-2-pyridin-2-ylsulfanyl-ethanamide Openeye Name: N-[2-[(6,7-dimethoxy-1-isoquinolyl)methyl]-4,5-dimethoxy-phenyl]-2-(2-pyridylsulfanyl)acetamide CAS Name: N-[2-[(6,7-dimethoxy-1-isoquinolinyl)methyl]-4,5-dimethoxyphenyl]-2-(2-pyridinylthio)acetamide IUPAC Name: N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]-2-pyridin-2-ylsulfanylacetamide Traditional Name: N-[2-[(6,7-dimethoxy-1-isoquinolyl)methyl]-4,5-dimethoxy-phenyl]-2-(2-pyridylthio)acetamide Formula: C27H27N3O5S MolecularWeight: 505.58538

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=CN=C2CC3=CC(=C(C=C3NC(=O)CSC4=CC=CC=N4)OC)OC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=CN=C2CC3=CC(=C(C=C3NC(=O)CSC4=CC=CC=N4)OC)OC)OC

InChI

InChI=1S/C27H27N3O5S/c1-32-22-12-17-8-10-28-21(19(17)14-24(22)34-3)11-18-13-23(33-2)25(35-4)15-20(18)30-26(31)16-36-27-7-5-6-9-29-27/h5-10,12-15H,11,16H2,1-4H3,(H,30,31)