2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-[2,3,4-tris(fluoranyl)phenyl]ethanamide

Systemtic Name: 2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-[2,3,4-tris(fluoranyl)phenyl]ethanamide Openeye Name: 2-(3-hexyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(2,3,4-trifluorophenyl)acetamide CAS Name: 2-[(3-hexyl-4-oxo-2-quinazolinyl)thio]-N-(2,3,4-trifluorophenyl)acetamide IUPAC Name: 2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2,3,4-trifluorophenyl)acetamide Traditional Name: 2-[(3-hexyl-4-keto-quinazolin-2-yl)thio]-N-(2,3,4-trifluorophenyl)acetamide Formula: C22H22F3N3O2S MolecularWeight: 449.48919

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C(=C(C=C3)F)F)F

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C(=C(C=C3)F)F)F

InChI

InChI=1S/C22H22F3N3O2S/c1-2-3-4-7-12-28-21(30)14-8-5-6-9-16(14)27-22(28)31-13-18(29)26-17-11-10-15(23)19(24)20(17)25/h5-6,8-11H,2-4,7,12-13H2,1H3,(H,26,29)