2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-[4-(trifluoromethyloxy)phenyl]ethanamide

Systemtic Name: 2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-[4-(trifluoromethyloxy)phenyl]ethanamide Openeye Name: 2-(3-butyl-4-oxo-quinazolin-2-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide CAS Name: 2-[(3-butyl-4-oxo-2-quinazolinyl)thio]-N-[4-(trifluoromethoxy)phenyl]acetamide IUPAC Name: 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide Traditional Name: 2-[(3-butyl-4-keto-quinazolin-2-yl)thio]-N-[4-(trifluoromethoxy)phenyl]acetamide Formula: C21H20F3N3O3S MolecularWeight: 451.46201

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C21H20F3N3O3S/c1-2-3-12-27-19(29)16-6-4-5-7-17(16)26-20(27)31-13-18(28)25-14-8-10-15(11-9-14)30-21(22,23)24/h4-11H,2-3,12-13H2,1H3,(H,25,28)