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

Systemtic Name: 1-[4-[4-(3-methylbutylsulfanyl)-3-nitro-phenyl]carbonylpiperazin-1-yl]ethanone Openeye Name: 1-[4-(4-isopentylsulfanyl-3-nitro-benzoyl)piperazin-1-yl]ethanone CAS Name: 1-[4-[[4-(3-methylbutylthio)-3-nitrophenyl]-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[4-(3-methylbutylsulfanyl)-3-nitrobenzoyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[4-(isoamylthio)-3-nitro-benzoyl]piperazino]ethanone Formula: C18H25N3O4S MolecularWeight: 379.4738

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCSC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C18H25N3O4S/c1-13(2)6-11-26-17-5-4-15(12-16(17)21(24)25)18(23)20-9-7-19(8-10-20)14(3)22/h4-5,12-13H,6-11H2,1-3H3