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

Systemtic Name: [4-(2-methoxyphenyl)piperazin-1-yl]-[4-(3-methylbutylsulfanyl)-3-nitro-phenyl]methanone Openeye Name: (4-isopentylsulfanyl-3-nitro-phenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone CAS Name: [4-(2-methoxyphenyl)-1-piperazinyl]-[4-(3-methylbutylthio)-3-nitrophenyl]methanone IUPAC Name: [4-(2-methoxyphenyl)piperazin-1-yl]-[4-(3-methylbutylsulfanyl)-3-nitrophenyl]methanone Traditional Name: [4-(isoamylthio)-3-nitro-phenyl]-[4-(2-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=C3OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCSC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=C3OC)[N+](=O)[O-]

InChI

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