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

Systemtic Name: N-(3-fluoranyl-4-methyl-phenyl)-6,7-dimethoxy-2-methyl-3-(4-methylsulfanylphenyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxamide Openeye Name: N-(3-fluoro-4-methyl-phenyl)-6,7-dimethoxy-2-methyl-3-(4-methylsulfanylphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide CAS Name: N-(3-fluoro-4-methylphenyl)-6,7-dimethoxy-2-methyl-3-[4-(methylthio)phenyl]-1-oxo-3,4-dihydroisoquinoline-4-carboxamide IUPAC Name: N-(3-fluoro-4-methylphenyl)-6,7-dimethoxy-2-methyl-3-(4-methylsulfanylphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide Traditional Name: N-(3-fluoro-4-methyl-phenyl)-1-keto-6,7-dimethoxy-2-methyl-3-[4-(methylthio)phenyl]-3,4-dihydroisoquinoline-4-carboxamide Formula: C27H27FN2O4S MolecularWeight: 494.577683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2C(N(C(=O)C3=CC(=C(C=C23)OC)OC)C)C4=CC=C(C=C4)SC)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2C(N(C(=O)C3=CC(=C(C=C23)OC)OC)C)C4=CC=C(C=C4)SC)F

InChI

InChI=1S/C27H27FN2O4S/c1-15-6-9-17(12-21(15)28)29-26(31)24-19-13-22(33-3)23(34-4)14-20(19)27(32)30(2)25(24)16-7-10-18(35-5)11-8-16/h6-14,24-25H,1-5H3,(H,29,31)