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

Systemtic Name: 3-(3-fluorophenyl)-2-[4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxidanylidene-butyl]sulfanyl-quinazolin-4-one Openeye Name: 3-(3-fluorophenyl)-2-[4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxo-butyl]sulfanyl-quinazolin-4-one CAS Name: 3-(3-fluorophenyl)-2-[[4-[4-(4-nitrophenyl)-1-piperazinyl]-4-oxobutyl]thio]-4-quinazolinone IUPAC Name: 3-(3-fluorophenyl)-2-[4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxobutyl]sulfanylquinazolin-4-one Traditional Name: 3-(3-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=C5)F

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CCCSC3=NC4=CC=CC=C4C(=O)N3C5=CC(=CC=C5)F

InChI

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