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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=C(C=C3)SC(F)F

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=C(C=C3)SC(F)F

InChI

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