3-chloranyl-N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxy-phenyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxy-phenyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[2-[(6,7-dimethoxy-1-isoquinolyl)methyl]-4,5-dimethoxy-phenyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[2-[(6,7-dimethoxy-1-isoquinolinyl)methyl]-4,5-dimethoxyphenyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[2-[(6,7-dimethoxy-1-isoquinolyl)methyl]-4,5-dimethoxy-phenyl]benzothiophene-2-carboxamide Formula: C29H25ClN2O5S MolecularWeight: 549.0372

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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(C5=CC=CC=C5S4)Cl)OC)OC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=CN=C2CC3=CC(=C(C=C3NC(=O)C4=C(C5=CC=CC=C5S4)Cl)OC)OC)OC

InChI

InChI=1S/C29H25ClN2O5S/c1-34-22-12-16-9-10-31-21(19(16)14-24(22)36-3)11-17-13-23(35-2)25(37-4)15-20(17)32-29(33)28-27(30)18-7-5-6-8-26(18)38-28/h5-10,12-15H,11H2,1-4H3,(H,32,33)