6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-[3-(trifluoromethyl)phenyl]hexanamide

Systemtic Name: 6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-[3-(trifluoromethyl)phenyl]hexanamide Openeye Name: 6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)-N-[3-(trifluoromethyl)phenyl]hexanamide CAS Name: 6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[3-(trifluoromethyl)phenyl]hexanamide IUPAC Name: 6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[3-(trifluoromethyl)phenyl]hexanamide Traditional Name: 6-(4-keto-2-thioxo-1H-quinazolin-3-yl)-N-[3-(trifluoromethyl)phenyl]hexanamide Formula: C21H20F3N3O2S MolecularWeight: 435.46261

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)CCCCCC(=O)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)CCCCCC(=O)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C21H20F3N3O2S/c22-21(23,24)14-7-6-8-15(13-14)25-18(28)11-2-1-5-12-27-19(29)16-9-3-4-10-17(16)26-20(27)30/h3-4,6-10,13H,1-2,5,11-12H2,(H,25,28)(H,26,30)