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

Systemtic Name: [4-(3-methoxyphenyl)piperazin-1-yl]-[4-(3-methylbutylsulfanyl)-3-nitro-phenyl]methanone Openeye Name: (4-isopentylsulfanyl-3-nitro-phenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone CAS Name: [4-(3-methoxyphenyl)-1-piperazinyl]-[4-(3-methylbutylthio)-3-nitrophenyl]methanone IUPAC Name: [4-(3-methoxyphenyl)piperazin-1-yl]-[4-(3-methylbutylsulfanyl)-3-nitrophenyl]methanone Traditional Name: [4-(isoamylthio)-3-nitro-phenyl]-[4-(3-methoxyphenyl)piperazino]methanone Formula: C23H29N3O4S MolecularWeight: 443.55906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O4S/c1-17(2)9-14-31-22-8-7-18(15-21(22)26(28)29)23(27)25-12-10-24(11-13-25)19-5-4-6-20(16-19)30-3/h4-8,15-17H,9-14H2,1-3H3