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

Systemtic Name: 2-chloranyl-N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxy-phenyl]-5-methylsulfanyl-benzamide Openeye Name: 2-chloro-N-[2-[(6,7-dimethoxy-1-isoquinolyl)methyl]-4,5-dimethoxy-phenyl]-5-methylsulfanyl-benzamide CAS Name: 2-chloro-N-[2-[(6,7-dimethoxy-1-isoquinolinyl)methyl]-4,5-dimethoxyphenyl]-5-(methylthio)benzamide IUPAC Name: 2-chloro-N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]-5-methylsulfanylbenzamide Traditional Name: 2-chloro-N-[2-[(6,7-dimethoxy-1-isoquinolyl)methyl]-4,5-dimethoxy-phenyl]-5-(methylthio)benzamide Formula: C28H27ClN2O5S MolecularWeight: 539.04238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H27ClN2O5S/c1-33-24-11-16-8-9-30-23(19(16)14-26(24)35-3)10-17-12-25(34-2)27(36-4)15-22(17)31-28(32)20-13-18(37-5)6-7-21(20)29/h6-9,11-15H,10H2,1-5H3,(H,31,32)