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

Systemtic Name: 2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-(3-butyl-4-oxo-quinazolin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[(3-butyl-4-oxo-2-quinazolinyl)thio]-N-[2-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[(3-butyl-4-keto-quinazolin-2-yl)thio]-N-[2-(trifluoromethyl)phenyl]acetamide Formula: C21H20F3N3O2S MolecularWeight: 435.46261

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C21H20F3N3O2S/c1-2-3-12-27-19(29)14-8-4-6-10-16(14)26-20(27)30-13-18(28)25-17-11-7-5-9-15(17)21(22,23)24/h4-11H,2-3,12-13H2,1H3,(H,25,28)