N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-2-(3-butan-2-yl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-2-(3-butan-2-yl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-[4-(difluoromethylsulfanyl)phenyl]-2-(4-oxo-3-sec-butyl-quinazolin-2-yl)sulfanyl-acetamide CAS Name: 2-[(3-butan-2-yl-4-oxo-2-quinazolinyl)thio]-N-[4-(difluoromethylthio)phenyl]acetamide IUPAC Name: 2-(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanyl-N-[4-(difluoromethylsulfanyl)phenyl]acetamide Traditional Name: N-[4-(difluoromethylthio)phenyl]-2-[(4-keto-3-sec-butyl-quinazolin-2-yl)thio]acetamide Formula: C21H21F2N3O2S2 MolecularWeight: 449.537146

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=C(C=C3)SC(F)F

Isomeric SMILES

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=C(C=C3)SC(F)F

InChI

InChI=1S/C21H21F2N3O2S2/c1-3-13(2)26-19(28)16-6-4-5-7-17(16)25-21(26)29-12-18(27)24-14-8-10-15(11-9-14)30-20(22)23/h4-11,13,20H,3,12H2,1-2H3,(H,24,27)