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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

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