3-(4-fluorophenyl)-2-[6-[4-(4-nitrophenyl)piperazin-1-yl]-6-oxidanylidene-hexyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-(4-fluorophenyl)-2-[6-[4-(4-nitrophenyl)piperazin-1-yl]-6-oxidanylidene-hexyl]sulfanyl-quinazolin-4-one Openeye Name: 3-(4-fluorophenyl)-2-[6-[4-(4-nitrophenyl)piperazin-1-yl]-6-oxo-hexyl]sulfanyl-quinazolin-4-one CAS Name: 3-(4-fluorophenyl)-2-[[6-[4-(4-nitrophenyl)-1-piperazinyl]-6-oxohexyl]thio]-4-quinazolinone IUPAC Name: 3-(4-fluorophenyl)-2-[6-[4-(4-nitrophenyl)piperazin-1-yl]-6-oxohexyl]sulfanylquinazolin-4-one Traditional Name: 3-(4-fluorophenyl)-2-[[6-keto-6-[4-(4-nitrophenyl)piperazino]hexyl]thio]quinazolin-4-one Formula: C30H30FN5O4S MolecularWeight: 575.653703

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CCCCCSC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)F

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CCCCCSC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)F

InChI

InChI=1S/C30H30FN5O4S/c31-22-9-11-24(12-10-22)35-29(38)26-6-3-4-7-27(26)32-30(35)41-21-5-1-2-8-28(37)34-19-17-33(18-20-34)23-13-15-25(16-14-23)36(39)40/h3-4,6-7,9-16H,1-2,5,8,17-21H2