2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-5-methoxy-9-oxidanylidene-1-phenyl-thioxanthene-4-carboxamide

Systemtic Name: 2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-5-methoxy-9-oxidanylidene-1-phenyl-thioxanthene-4-carboxamide Openeye Name: 2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-5-methoxy-9-oxo-1-phenyl-thioxanthene-4-carboxamide CAS Name: 2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-5-methoxy-9-oxo-1-phenyl-4-thioxanthenecarboxamide IUPAC Name: 2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-5-methoxy-9-oxo-1-phenylthioxanthene-4-carboxamide Traditional Name: 2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-9-keto-5-methoxy-1-phenyl-thioxanthene-4-carboxamide Formula: C34H32N2O5S MolecularWeight: 580.69328

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1SC3=C(C2=O)C(=C(C=C3C(=O)N)CCN4CCC5=CC(=C(C=C5C4)OC)OC)C6=CC=CC=C6

Isomeric SMILES

COC1=CC=CC2=C1SC3=C(C2=O)C(=C(C=C3C(=O)N)CCN4CCC5=CC(=C(C=C5C4)OC)OC)C6=CC=CC=C6

InChI

InChI=1S/C34H32N2O5S/c1-39-26-11-7-10-24-31(37)30-29(20-8-5-4-6-9-20)22(16-25(34(35)38)33(30)42-32(24)26)13-15-36-14-12-21-17-27(40-2)28(41-3)18-23(21)19-36/h4-11,16-18H,12-15,19H2,1-3H3,(H2,35,38)