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

Systemtic Name: N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxy-phenyl]-2-isoquinolin-1-ylsulfanyl-ethanamide Openeye Name: N-[2-[(6,7-dimethoxy-1-isoquinolyl)methyl]-4,5-dimethoxy-phenyl]-2-(1-isoquinolylsulfanyl)acetamide CAS Name: N-[2-[(6,7-dimethoxy-1-isoquinolinyl)methyl]-4,5-dimethoxyphenyl]-2-(1-isoquinolinylthio)acetamide IUPAC Name: N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]-2-isoquinolin-1-ylsulfanylacetamide Traditional Name: N-[2-[(6,7-dimethoxy-1-isoquinolyl)methyl]-4,5-dimethoxy-phenyl]-2-(1-isoquinolylthio)acetamide Formula: C31H29N3O5S MolecularWeight: 555.64406

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=CN=C2CC3=CC(=C(C=C3NC(=O)CSC4=NC=CC5=CC=CC=C54)OC)OC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=CN=C2CC3=CC(=C(C=C3NC(=O)CSC4=NC=CC5=CC=CC=C54)OC)OC)OC

InChI

InChI=1S/C31H29N3O5S/c1-36-26-14-20-10-11-32-25(23(20)16-28(26)38-3)13-21-15-27(37-2)29(39-4)17-24(21)34-30(35)18-40-31-22-8-6-5-7-19(22)9-12-33-31/h5-12,14-17H,13,18H2,1-4H3,(H,34,35)