N-(3-chloranyl-4-fluoranyl-phenyl)-6,7-dimethoxy-2-methyl-3-(4-methylsulfanylphenyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-6,7-dimethoxy-2-methyl-3-(4-methylsulfanylphenyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-6,7-dimethoxy-2-methyl-3-(4-methylsulfanylphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide CAS Name: N-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-2-methyl-3-[4-(methylthio)phenyl]-1-oxo-3,4-dihydroisoquinoline-4-carboxamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-2-methyl-3-(4-methylsulfanylphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-1-keto-6,7-dimethoxy-2-methyl-3-[4-(methylthio)phenyl]-3,4-dihydroisoquinoline-4-carboxamide Formula: C26H24ClFN2O4S MolecularWeight: 514.996163

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)NC3=CC(=C(C=C3)F)Cl)C4=CC=C(C=C4)SC

Isomeric SMILES

CN1C(C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)NC3=CC(=C(C=C3)F)Cl)C4=CC=C(C=C4)SC

InChI

InChI=1S/C26H24ClFN2O4S/c1-30-24(14-5-8-16(35-4)9-6-14)23(25(31)29-15-7-10-20(28)19(27)11-15)17-12-21(33-2)22(34-3)13-18(17)26(30)32/h5-13,23-24H,1-4H3,(H,29,31)