2-(6-bromanyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-N-[2,2,2-tris(fluoranyl)ethylcarbamoyl]ethanamide

Systemtic Name: 2-(6-bromanyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-N-[2,2,2-tris(fluoranyl)ethylcarbamoyl]ethanamide Openeye Name: 2-(6-bromo-4-oxo-3-propyl-quinazolin-2-yl)sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)acetamide CAS Name: 2-[(6-bromo-4-oxo-3-propyl-2-quinazolinyl)thio]-N-[oxo-(2,2,2-trifluoroethylamino)methyl]acetamide IUPAC Name: 2-(6-bromo-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)acetamide Traditional Name: 2-[(6-bromo-4-keto-3-propyl-quinazolin-2-yl)thio]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide Formula: C16H16BrF3N4O3S MolecularWeight: 481.28745

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)NC(=O)NCC(F)(F)F

Isomeric SMILES

CCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)NC(=O)NCC(F)(F)F

InChI

InChI=1S/C16H16BrF3N4O3S/c1-2-5-24-13(26)10-6-9(17)3-4-11(10)22-15(24)28-7-12(25)23-14(27)21-8-16(18,19)20/h3-4,6H,2,5,7-8H2,1H3,(H2,21,23,25,27)