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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CC(C)C(C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C22H22F3N3O2S/c1-13(2)14(3)26-19(29)12-31-21-27-17-10-6-4-8-15(17)20(30)28(21)18-11-7-5-9-16(18)22(23,24)25/h4-11,13-14H,12H2,1-3H3,(H,26,29)