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

Systemtic Name: 1-[4-(4-methylsulfanyl-3-nitro-phenyl)carbonylpiperazin-1-yl]ethanone Openeye Name: 1-[4-(4-methylsulfanyl-3-nitro-benzoyl)piperazin-1-yl]ethanone CAS Name: 1-[4-[[4-(methylthio)-3-nitrophenyl]-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-(4-methylsulfanyl-3-nitrobenzoyl)piperazin-1-yl]ethanone Traditional Name: 1-[4-[4-(methylthio)-3-nitro-benzoyl]piperazino]ethanone Formula: C14H17N3O4S MolecularWeight: 323.36748

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

InChI

InChI=1S/C14H17N3O4S/c1-10(18)15-5-7-16(8-6-15)14(19)11-3-4-13(22-2)12(9-11)17(20)21/h3-4,9H,5-8H2,1-2H3