3-[3,5-bis(trifluoromethyl)phenyl]-2,3-dimethyl-1-oxidanylidene-N-(thiophen-2-ylmethyl)-4H-isoquinoline-4-carboxamide

Systemtic Name: 3-[3,5-bis(trifluoromethyl)phenyl]-2,3-dimethyl-1-oxidanylidene-N-(thiophen-2-ylmethyl)-4H-isoquinoline-4-carboxamide Openeye Name: 3-[3,5-bis(trifluoromethyl)phenyl]-2,3-dimethyl-1-oxo-N-(2-thienylmethyl)-4H-isoquinoline-4-carboxamide CAS Name: 3-[3,5-bis(trifluoromethyl)phenyl]-2,3-dimethyl-1-oxo-N-(thiophen-2-ylmethyl)-4H-isoquinoline-4-carboxamide IUPAC Name: 3-[3,5-bis(trifluoromethyl)phenyl]-2,3-dimethyl-1-oxo-N-(thiophen-2-ylmethyl)-4H-isoquinoline-4-carboxamide Traditional Name: 3-[3,5-bis(trifluoromethyl)phenyl]-1-keto-2,3-dimethyl-N-(2-thenyl)-4H-isoquinoline-4-carboxamide Formula: C25H20F6N2O2S MolecularWeight: 526.493919

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C2=CC=CC=C2C(=O)N1C)C(=O)NCC3=CC=CS3)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC1(C(C2=CC=CC=C2C(=O)N1C)C(=O)NCC3=CC=CS3)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C25H20F6N2O2S/c1-23(14-10-15(24(26,27)28)12-16(11-14)25(29,30)31)20(21(34)32-13-17-6-5-9-36-17)18-7-3-4-8-19(18)22(35)33(23)2/h3-12,20H,13H2,1-2H3,(H,32,34)