1-[4-[4-(3-nitro-4-phenylsulfanyl-phenyl)carbonylpiperazin-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-(3-nitro-4-phenylsulfanyl-phenyl)carbonylpiperazin-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-(3-nitro-4-phenylsulfanyl-benzoyl)piperazin-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[[3-nitro-4-(phenylthio)phenyl]-oxomethyl]-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[4-[4-(3-nitro-4-phenylsulfanylbenzoyl)piperazin-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-[3-nitro-4-(phenylthio)benzoyl]piperazino]phenyl]ethanone Formula: C25H23N3O4S MolecularWeight: 461.53282

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)SC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)SC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H23N3O4S/c1-18(29)19-7-10-21(11-8-19)26-13-15-27(16-14-26)25(30)20-9-12-24(23(17-20)28(31)32)33-22-5-3-2-4-6-22/h2-12,17H,13-16H2,1H3