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

Systemtic Name: (3-methoxyphenyl)-[4-[4-(3-methylbutylsulfanyl)-3-nitro-phenyl]carbonylpiperazin-1-yl]methanone Openeye Name: [4-(4-isopentylsulfanyl-3-nitro-benzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone CAS Name: (3-methoxyphenyl)-[4-[[4-(3-methylbutylthio)-3-nitrophenyl]-oxomethyl]-1-piperazinyl]methanone IUPAC Name: (3-methoxyphenyl)-[4-[4-(3-methylbutylsulfanyl)-3-nitrobenzoyl]piperazin-1-yl]methanone Traditional Name: [4-[4-(isoamylthio)-3-nitro-benzoyl]piperazino]-(3-methoxyphenyl)methanone Formula: C24H29N3O5S MolecularWeight: 471.56916

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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)OC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O5S/c1-17(2)9-14-33-22-8-7-19(16-21(22)27(30)31)24(29)26-12-10-25(11-13-26)23(28)18-5-4-6-20(15-18)32-3/h4-8,15-17H,9-14H2,1-3H3