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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)CCCOC3=CC=C(C=C3)NC(=O)C4=CC=CC5=C4SC6=CC=CC=C6C5=O)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)CCCOC3=CC=C(C=C3)NC(=O)C4=CC=CC5=C4SC6=CC=CC=C6C5=O)OC

InChI

InChI=1S/C34H32N2O5S/c1-39-29-19-22-15-17-36(21-23(22)20-30(29)40-2)16-6-18-41-25-13-11-24(12-14-25)35-34(38)28-9-5-8-27-32(37)26-7-3-4-10-31(26)42-33(27)28/h3-5,7-14,19-20H,6,15-18,21H2,1-2H3,(H,35,38)