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

Systemtic Name: (4-fluorophenyl)-[4-[4-(3-methylbutylsulfanyl)-3-nitro-phenyl]carbonylpiperazin-1-yl]methanone Openeye Name: (4-fluorophenyl)-[4-(4-isopentylsulfanyl-3-nitro-benzoyl)piperazin-1-yl]methanone CAS Name: (4-fluorophenyl)-[4-[[4-(3-methylbutylthio)-3-nitrophenyl]-oxomethyl]-1-piperazinyl]methanone IUPAC Name: (4-fluorophenyl)-[4-[4-(3-methylbutylsulfanyl)-3-nitrobenzoyl]piperazin-1-yl]methanone Traditional Name: (4-fluorophenyl)-[4-[4-(isoamylthio)-3-nitro-benzoyl]piperazino]methanone Formula: C23H26FN3O4S MolecularWeight: 459.533643

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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=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C23H26FN3O4S/c1-16(2)9-14-32-21-8-5-18(15-20(21)27(30)31)23(29)26-12-10-25(11-13-26)22(28)17-3-6-19(24)7-4-17/h3-8,15-16H,9-14H2,1-2H3