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

Systemtic Name: 6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-[4-(trifluoromethyloxy)phenyl]hexanamide Openeye Name: 6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)-N-[4-(trifluoromethoxy)phenyl]hexanamide CAS Name: 6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[4-(trifluoromethoxy)phenyl]hexanamide IUPAC Name: 6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[4-(trifluoromethoxy)phenyl]hexanamide Traditional Name: 6-(4-keto-2-thioxo-1H-quinazolin-3-yl)-N-[4-(trifluoromethoxy)phenyl]hexanamide Formula: C21H20F3N3O3S MolecularWeight: 451.46201

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20F3N3O3S/c22-21(23,24)30-15-11-9-14(10-12-15)25-18(28)8-2-1-5-13-27-19(29)16-6-3-4-7-17(16)26-20(27)31/h3-4,6-7,9-12H,1-2,5,8,13H2,(H,25,28)(H,26,31)