N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-4-(2-methyl-4-oxidanylidene-quinazolin-3-yl)butanamide

Systemtic Name: N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-4-(2-methyl-4-oxidanylidene-quinazolin-3-yl)butanamide Openeye Name: N-[4-(difluoromethylsulfanyl)phenyl]-4-(2-methyl-4-oxo-quinazolin-3-yl)butanamide CAS Name: N-[4-(difluoromethylthio)phenyl]-4-(2-methyl-4-oxo-3-quinazolinyl)butanamide IUPAC Name: N-[4-(difluoromethylsulfanyl)phenyl]-4-(2-methyl-4-oxoquinazolin-3-yl)butanamide Traditional Name: N-[4-(difluoromethylthio)phenyl]-4-(4-keto-2-methyl-quinazolin-3-yl)butyramide Formula: C20H19F2N3O2S MolecularWeight: 403.445566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=O)N1CCCC(=O)NC3=CC=C(C=C3)SC(F)F

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=O)N1CCCC(=O)NC3=CC=C(C=C3)SC(F)F

InChI

InChI=1S/C20H19F2N3O2S/c1-13-23-17-6-3-2-5-16(17)19(27)25(13)12-4-7-18(26)24-14-8-10-15(11-9-14)28-20(21)22/h2-3,5-6,8-11,20H,4,7,12H2,1H3,(H,24,26)