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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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