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

Systemtic Name: 2-[4-oxidanylidene-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]sulfanyl-N-pentan-3-yl-ethanamide Openeye Name: N-(1-ethylpropyl)-2-[4-oxo-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]sulfanyl-acetamide CAS Name: 2-[[4-oxo-3-[3-(trifluoromethyl)phenyl]-2-quinazolinyl]thio]-N-pentan-3-ylacetamide IUPAC Name: 2-[4-oxo-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]sulfanyl-N-pentan-3-ylacetamide Traditional Name: N-(1-ethylpropyl)-2-[[4-keto-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]thio]acetamide Formula: C22H22F3N3O2S MolecularWeight: 449.48919

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CCC(CC)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC(=C3)C(F)(F)F

InChI

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