[4-(3-methylbutylsulfanyl)-3-nitro-phenyl]-[4-(2-methylphenyl)piperazin-1-yl]methanone

Systemtic Name: [4-(3-methylbutylsulfanyl)-3-nitro-phenyl]-[4-(2-methylphenyl)piperazin-1-yl]methanone Openeye Name: (4-isopentylsulfanyl-3-nitro-phenyl)-[4-(o-tolyl)piperazin-1-yl]methanone CAS Name: [4-(3-methylbutylthio)-3-nitrophenyl]-[4-(2-methylphenyl)-1-piperazinyl]methanone IUPAC Name: [4-(3-methylbutylsulfanyl)-3-nitrophenyl]-[4-(2-methylphenyl)piperazin-1-yl]methanone Traditional Name: [4-(isoamylthio)-3-nitro-phenyl]-[4-(o-tolyl)piperazino]methanone Formula: C23H29N3O3S MolecularWeight: 427.55966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC(=C(C=C3)SCCC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC(=C(C=C3)SCCC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C23H29N3O3S/c1-17(2)10-15-30-22-9-8-19(16-21(22)26(28)29)23(27)25-13-11-24(12-14-25)20-7-5-4-6-18(20)3/h4-9,16-17H,10-15H2,1-3H3