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

Systemtic Name: N-(3-methylbutyl)-2-[4-oxidanylidene-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-isopentyl-2-[4-oxo-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(3-methylbutyl)-2-[[4-oxo-3-[3-(trifluoromethyl)phenyl]-2-quinazolinyl]thio]acetamide IUPAC Name: N-(3-methylbutyl)-2-[4-oxo-3-[3-(trifluoromethyl)phenyl]quinazolin-2-yl]sulfanylacetamide Traditional Name: N-isoamyl-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22F3N3O2S/c1-14(2)10-11-26-19(29)13-31-21-27-18-9-4-3-8-17(18)20(30)28(21)16-7-5-6-15(12-16)22(23,24)25/h3-9,12,14H,10-11,13H2,1-2H3,(H,26,29)