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

Systemtic Name: 2-[3-(2-acetamidoethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-[3-(2-acetamidoethyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[[3-(2-acetamidoethyl)-4-oxo-2-quinazolinyl]thio]-N-[3-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[3-(2-acetamidoethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[[3-(2-acetamidoethyl)-4-keto-quinazolin-2-yl]thio]-N-[3-(trifluoromethyl)phenyl]acetamide Formula: C21H19F3N4O3S MolecularWeight: 464.46077

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CC(=O)NCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C21H19F3N4O3S/c1-13(29)25-9-10-28-19(31)16-7-2-3-8-17(16)27-20(28)32-12-18(30)26-15-6-4-5-14(11-15)21(22,23)24/h2-8,11H,9-10,12H2,1H3,(H,25,29)(H,26,30)