3-(2-fluorophenyl)-2-[4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxidanylidene-butyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-(2-fluorophenyl)-2-[4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxidanylidene-butyl]sulfanyl-quinazolin-4-one Openeye Name: 3-(2-fluorophenyl)-2-[4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxo-butyl]sulfanyl-quinazolin-4-one CAS Name: 3-(2-fluorophenyl)-2-[[4-[4-(4-nitrophenyl)-1-piperazinyl]-4-oxobutyl]thio]-4-quinazolinone IUPAC Name: 3-(2-fluorophenyl)-2-[4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxobutyl]sulfanylquinazolin-4-one Traditional Name: 3-(2-fluorophenyl)-2-[[4-keto-4-[4-(4-nitrophenyl)piperazino]butyl]thio]quinazolin-4-one Formula: C28H26FN5O4S MolecularWeight: 547.600543

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CCCSC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5F

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CCCSC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5F

InChI

InChI=1S/C28H26FN5O4S/c29-23-7-2-4-9-25(23)33-27(36)22-6-1-3-8-24(22)30-28(33)39-19-5-10-26(35)32-17-15-31(16-18-32)20-11-13-21(14-12-20)34(37)38/h1-4,6-9,11-14H,5,10,15-19H2