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

Systemtic Name: [4-[4-(3-methylbutylsulfanyl)-3-nitro-phenyl]carbonylpiperazin-1-yl]-(4-methylphenyl)methanone Openeye Name: [4-(4-isopentylsulfanyl-3-nitro-benzoyl)piperazin-1-yl]-(p-tolyl)methanone CAS Name: [4-[[4-(3-methylbutylthio)-3-nitrophenyl]-oxomethyl]-1-piperazinyl]-(4-methylphenyl)methanone IUPAC Name: [4-[4-(3-methylbutylsulfanyl)-3-nitrobenzoyl]piperazin-1-yl]-(4-methylphenyl)methanone Traditional Name: [4-[4-(isoamylthio)-3-nitro-benzoyl]piperazino]-(p-tolyl)methanone Formula: C24H29N3O4S MolecularWeight: 455.56976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)SCCC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)SCCC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C24H29N3O4S/c1-17(2)10-15-32-22-9-8-20(16-21(22)27(30)31)24(29)26-13-11-25(12-14-26)23(28)19-6-4-18(3)5-7-19/h4-9,16-17H,10-15H2,1-3H3