2-[(6,7-dimethoxyisoquinolin-1-yl)-(1,3-dithiolan-2-ylidene)methyl]-4,5-dimethoxy-N-oxidanyl-benzeneamine oxide

Systemtic Name: 2-[(6,7-dimethoxyisoquinolin-1-yl)-(1,3-dithiolan-2-ylidene)methyl]-4,5-dimethoxy-N-oxidanyl-benzeneamine oxide Openeye Name: 2-[(6,7-dimethoxy-1-isoquinolyl)-(1,3-dithiolan-2-ylidene)methyl]-N-hydroxy-4,5-dimethoxy-benzeneamine oxide CAS Name: 2-[(6,7-dimethoxy-1-isoquinolinyl)-(1,3-dithiolan-2-ylidene)methyl]-N-hydroxy-4,5-dimethoxybenzeneamine oxide IUPAC Name: 2-[(6,7-dimethoxyisoquinolin-1-yl)-(1,3-dithiolan-2-ylidene)methyl]-N-hydroxy-4,5-dimethoxybenzeneamine oxide Traditional Name: 2-[(6,7-dimethoxy-1-isoquinolyl)-(1,3-dithiolan-2-ylidene)methyl]-N-hydroxy-4,5-dimethoxy-benzeneamine oxide Formula: C23H24N2O6S2 MolecularWeight: 488.57646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=CN=C2C(=C3SCCS3)C4=CC(=C(C=C4[NH+](O)[O-])OC)OC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=CN=C2C(=C3SCCS3)C4=CC(=C(C=C4[NH+](O)[O-])OC)OC)OC

InChI

InChI=1S/C23H24N2O6S2/c1-28-17-9-13-5-6-24-22(14(13)10-18(17)29-2)21(23-32-7-8-33-23)15-11-19(30-3)20(31-4)12-16(15)25(26)27/h5-6,9-12,25-26H,7-8H2,1-4H3