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

Systemtic Name: [4-[4-(3-methylbutylsulfanyl)-3-nitro-phenyl]carbonylpiperazin-1-yl]-phenyl-methanone Openeye Name: [4-(4-isopentylsulfanyl-3-nitro-benzoyl)piperazin-1-yl]-phenyl-methanone CAS Name: [4-[[4-(3-methylbutylthio)-3-nitrophenyl]-oxomethyl]-1-piperazinyl]-phenylmethanone IUPAC Name: [4-[4-(3-methylbutylsulfanyl)-3-nitrobenzoyl]piperazin-1-yl]-phenylmethanone Traditional Name: [4-[4-(isoamylthio)-3-nitro-benzoyl]piperazino]-phenyl-methanone Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCSC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H27N3O4S/c1-17(2)10-15-31-21-9-8-19(16-20(21)26(29)30)23(28)25-13-11-24(12-14-25)22(27)18-6-4-3-5-7-18/h3-9,16-17H,10-15H2,1-2H3