3-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-N-(2-methylsulfanylethyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxamide

Systemtic Name: 3-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-N-(2-methylsulfanylethyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxamide Openeye Name: 3-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-N-(2-methylsulfanylethyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide CAS Name: 3-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-N-[2-(methylthio)ethyl]-1-oxo-3,4-dihydroisoquinoline-4-carboxamide IUPAC Name: 3-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-N-(2-methylsulfanylethyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide Traditional Name: 3-[3,5-bis(trifluoromethyl)phenyl]-1-keto-2-methyl-N-[2-(methylthio)ethyl]-3,4-dihydroisoquinoline-4-carboxamide Formula: C22H20F6N2O2S MolecularWeight: 490.461819

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(C2=CC=CC=C2C1=O)C(=O)NCCSC)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CN1C(C(C2=CC=CC=C2C1=O)C(=O)NCCSC)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C22H20F6N2O2S/c1-30-18(12-9-13(21(23,24)25)11-14(10-12)22(26,27)28)17(19(31)29-7-8-33-2)15-5-3-4-6-16(15)20(30)32/h3-6,9-11,17-18H,7-8H2,1-2H3,(H,29,31)