10,11-dimethoxy-N-(2-methylsulfanylphenyl)-8-oxidanylidene-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxamide

Systemtic Name: 10,11-dimethoxy-N-(2-methylsulfanylphenyl)-8-oxidanylidene-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxamide Openeye Name: 10,11-dimethoxy-N-(2-methylsulfanylphenyl)-8-oxo-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxamide CAS Name: 10,11-dimethoxy-N-[2-(methylthio)phenyl]-8-oxo-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxamide IUPAC Name: 10,11-dimethoxy-N-(2-methylsulfanylphenyl)-8-oxo-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxamide Traditional Name: 8-keto-10,11-dimethoxy-N-[2-(methylthio)phenyl]-5,6,13,13a-tetrahydroisoquinolin[2,1-b]isoquinoline-13-carboxamide Formula: C27H26N2O4S MolecularWeight: 474.57134

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(C3C4=CC=CC=C4CCN3C2=O)C(=O)NC5=CC=CC=C5SC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(C3C4=CC=CC=C4CCN3C2=O)C(=O)NC5=CC=CC=C5SC)OC

InChI

InChI=1S/C27H26N2O4S/c1-32-21-14-18-19(15-22(21)33-2)27(31)29-13-12-16-8-4-5-9-17(16)25(29)24(18)26(30)28-20-10-6-7-11-23(20)34-3/h4-11,14-15,24-25H,12-13H2,1-3H3,(H,28,30)