2,3-diethoxy-N-(3-methylsulfanylphenyl)-8-oxidanylidene-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxamide

Systemtic Name: 2,3-diethoxy-N-(3-methylsulfanylphenyl)-8-oxidanylidene-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxamide Openeye Name: 2,3-diethoxy-N-(3-methylsulfanylphenyl)-8-oxo-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxamide CAS Name: 2,3-diethoxy-N-[3-(methylthio)phenyl]-8-oxo-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxamide IUPAC Name: 2,3-diethoxy-N-(3-methylsulfanylphenyl)-8-oxo-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxamide Traditional Name: 2,3-diethoxy-8-keto-N-[3-(methylthio)phenyl]-5,6,13,13a-tetrahydroisoquinolin[2,1-b]isoquinoline-13-carboxamide Formula: C29H30N2O4S MolecularWeight: 502.6245

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C3C(C4=CC=CC=C4C(=O)N3CCC2=C1)C(=O)NC5=CC(=CC=C5)SC)OCC

Isomeric SMILES

CCOC1=C(C=C2C3C(C4=CC=CC=C4C(=O)N3CCC2=C1)C(=O)NC5=CC(=CC=C5)SC)OCC

InChI

InChI=1S/C29H30N2O4S/c1-4-34-24-15-18-13-14-31-27(23(18)17-25(24)35-5-2)26(21-11-6-7-12-22(21)29(31)33)28(32)30-19-9-8-10-20(16-19)36-3/h6-12,15-17,26-27H,4-5,13-14H2,1-3H3,(H,30,32)