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

Systemtic Name: 2-[3-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-cyclopentyl-ethanamide Openeye Name: N-cyclopentyl-2-[3-[4-(difluoromethylsulfanyl)phenyl]-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-cyclopentyl-2-[[3-[4-(difluoromethylthio)phenyl]-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-cyclopentyl-2-[3-[4-(difluoromethylsulfanyl)phenyl]-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-cyclopentyl-2-[[3-[4-(difluoromethylthio)phenyl]-4-keto-quinazolin-2-yl]thio]acetamide Formula: C22H21F2N3O2S2 MolecularWeight: 461.547846

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)SC(F)F

Isomeric SMILES

C1CCC(C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)SC(F)F

InChI

InChI=1S/C22H21F2N3O2S2/c23-21(24)31-16-11-9-15(10-12-16)27-20(29)17-7-3-4-8-18(17)26-22(27)30-13-19(28)25-14-5-1-2-6-14/h3-4,7-12,14,21H,1-2,5-6,13H2,(H,25,28)