N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N,2-dimethyl-4-phenyl-1-sulfanylidene-isoquinoline-3-carboxamide

Systemtic Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N,2-dimethyl-4-phenyl-1-sulfanylidene-isoquinoline-3-carboxamide Openeye Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N,2-dimethyl-4-phenyl-1-thioxo-isoquinoline-3-carboxamide CAS Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N,2-dimethyl-4-phenyl-1-sulfanylidene-3-isoquinolinecarboxamide IUPAC Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N,2-dimethyl-4-phenyl-1-sulfanylideneisoquinoline-3-carboxamide Traditional Name: N-[3,5-bis(trifluoromethyl)benzyl]-N,2-dimethyl-4-phenyl-1-thioxo-isoquinoline-3-carboxamide Formula: C27H20F6N2OS MolecularWeight: 534.515919

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=CC=CC=C2C1=S)C3=CC=CC=C3)C(=O)N(C)CC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CN1C(=C(C2=CC=CC=C2C1=S)C3=CC=CC=C3)C(=O)N(C)CC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C27H20F6N2OS/c1-34(15-16-12-18(26(28,29)30)14-19(13-16)27(31,32)33)24(36)23-22(17-8-4-3-5-9-17)20-10-6-7-11-21(20)25(37)35(23)2/h3-14H,15H2,1-2H3