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

Systemtic Name: N-(3-methylsulfanylphenyl)-8-oxidanylidene-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxamide Openeye Name: N-(3-methylsulfanylphenyl)-8-oxo-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxamide CAS Name: N-[3-(methylthio)phenyl]-8-oxo-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxamide IUPAC Name: N-(3-methylsulfanylphenyl)-8-oxo-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxamide Traditional Name: 8-keto-N-[3-(methylthio)phenyl]-5,6,13,13a-tetrahydroisoquinolin[2,1-b]isoquinoline-13-carboxamide Formula: C25H22N2O2S MolecularWeight: 414.51938

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C2C3C4=CC=CC=C4CCN3C(=O)C5=CC=CC=C25

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)C2C3C4=CC=CC=C4CCN3C(=O)C5=CC=CC=C25

InChI

InChI=1S/C25H22N2O2S/c1-30-18-9-6-8-17(15-18)26-24(28)22-20-11-4-5-12-21(20)25(29)27-14-13-16-7-2-3-10-19(16)23(22)27/h2-12,15,22-23H,13-14H2,1H3,(H,26,28)