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

Systemtic Name: 2-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-3-propyl-quinazolin-4-one Openeye Name: 2-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-3-propyl-quinazolin-4-one CAS Name: 2-[[2-[4-(4-nitrophenyl)-1-piperazinyl]-2-oxoethyl]thio]-3-propyl-4-quinazolinone IUPAC Name: 2-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-3-propylquinazolin-4-one Traditional Name: 2-[[2-keto-2-[4-(4-nitrophenyl)piperazino]ethyl]thio]-3-propyl-quinazolin-4-one Formula: C23H25N5O4S MolecularWeight: 467.5407

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H25N5O4S/c1-2-11-27-22(30)19-5-3-4-6-20(19)24-23(27)33-16-21(29)26-14-12-25(13-15-26)17-7-9-18(10-8-17)28(31)32/h3-10H,2,11-16H2,1H3