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

Systemtic Name: 2-(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanyl-N-[2,2,2-tris(fluoranyl)ethylcarbamoyl]ethanamide Openeye Name: 2-(3-isopropyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)acetamide CAS Name: 2-[(4-oxo-3-propan-2-yl-2-quinazolinyl)thio]-N-[oxo-(2,2,2-trifluoroethylamino)methyl]acetamide IUPAC Name: 2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-(2,2,2-trifluoroethylcarbamoyl)acetamide Traditional Name: 2-[(3-isopropyl-4-keto-quinazolin-2-yl)thio]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide Formula: C16H17F3N4O3S MolecularWeight: 402.39139

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC(=O)NCC(F)(F)F

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC(=O)NCC(F)(F)F

InChI

InChI=1S/C16H17F3N4O3S/c1-9(2)23-13(25)10-5-3-4-6-11(10)21-15(23)27-7-12(24)22-14(26)20-8-16(17,18)19/h3-6,9H,7-8H2,1-2H3,(H2,20,22,24,26)