3-(2-fluorophenyl)-2-[5-[4-(4-nitrophenyl)piperazin-1-yl]-5-oxidanylidene-pentyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-(2-fluorophenyl)-2-[5-[4-(4-nitrophenyl)piperazin-1-yl]-5-oxidanylidene-pentyl]sulfanyl-quinazolin-4-one Openeye Name: 3-(2-fluorophenyl)-2-[5-[4-(4-nitrophenyl)piperazin-1-yl]-5-oxo-pentyl]sulfanyl-quinazolin-4-one CAS Name: 3-(2-fluorophenyl)-2-[[5-[4-(4-nitrophenyl)-1-piperazinyl]-5-oxopentyl]thio]-4-quinazolinone IUPAC Name: 3-(2-fluorophenyl)-2-[5-[4-(4-nitrophenyl)piperazin-1-yl]-5-oxopentyl]sulfanylquinazolin-4-one Traditional Name: 3-(2-fluorophenyl)-2-[[5-keto-5-[4-(4-nitrophenyl)piperazino]pentyl]thio]quinazolin-4-one Formula: C29H28FN5O4S MolecularWeight: 561.627123

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CCCCSC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5F

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CCCCSC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5F

InChI

InChI=1S/C29H28FN5O4S/c30-24-8-2-4-10-26(24)34-28(37)23-7-1-3-9-25(23)31-29(34)40-20-6-5-11-27(36)33-18-16-32(17-19-33)21-12-14-22(15-13-21)35(38)39/h1-4,7-10,12-15H,5-6,11,16-20H2