3-(4-fluorophenyl)-2-[[2-oxidanylidene-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]sulfanylmethylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(4-fluorophenyl)-2-[[2-oxidanylidene-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]sulfanylmethylsulfanyl]quinazolin-4-one Openeye Name: 3-(4-fluorophenyl)-2-[[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]sulfanylmethylsulfanyl]quinazolin-4-one CAS Name: 3-(4-fluorophenyl)-2-[[[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]ethyl]thio]methylthio]-4-quinazolinone IUPAC Name: 3-(4-fluorophenyl)-2-[[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]sulfanylmethylsulfanyl]quinazolin-4-one Traditional Name: 3-(4-fluorophenyl)-2-[[[2-keto-2-[4-[3-(trifluoromethyl)phenyl]piperazino]ethyl]thio]methylthio]quinazolin-4-one Formula: C28H24F4N4O2S2 MolecularWeight: 588.639373

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)CSCSC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)F

Isomeric SMILES

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)CSCSC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)F

InChI

InChI=1S/C28H24F4N4O2S2/c29-20-8-10-21(11-9-20)36-26(38)23-6-1-2-7-24(23)33-27(36)40-18-39-17-25(37)35-14-12-34(13-15-35)22-5-3-4-19(16-22)28(30,31)32/h1-11,16H,12-15,17-18H2