1-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-2-cyclohexylsulfanyl-ethanone

Systemtic Name: 1-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-2-cyclohexylsulfanyl-ethanone Openeye Name: 1-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]-2-cyclohexylsulfanyl-ethanone CAS Name: 1-[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-2-(cyclohexylthio)ethanone IUPAC Name: 1-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-2-cyclohexylsulfanylethanone Traditional Name: 1-[4-(4-chloro-2-nitro-phenyl)piperazino]-2-(cyclohexylthio)ethanone Formula: C18H24ClN3O3S MolecularWeight: 397.91946

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SCC(=O)N2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)SCC(=O)N2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H24ClN3O3S/c19-14-6-7-16(17(12-14)22(24)25)20-8-10-21(11-9-20)18(23)13-26-15-4-2-1-3-5-15/h6-7,12,15H,1-5,8-11,13H2