[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]-[2-(phenylmethylsulfanyl)phenyl]methanone

Systemtic Name: [4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]-[2-(phenylmethylsulfanyl)phenyl]methanone Openeye Name: (2-benzylsulfanylphenyl)-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]methanone CAS Name: [4-(4-methoxy-2-nitrophenyl)-1-piperazinyl]-[2-(phenylmethylthio)phenyl]methanone IUPAC Name: (2-benzylsulfanylphenyl)-[4-(4-methoxy-2-nitrophenyl)piperazin-1-yl]methanone Traditional Name: [2-(benzylthio)phenyl]-[4-(4-methoxy-2-nitro-phenyl)piperazino]methanone Formula: C25H25N3O4S MolecularWeight: 463.5487

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3SCC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3SCC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H25N3O4S/c1-32-20-11-12-22(23(17-20)28(30)31)26-13-15-27(16-14-26)25(29)21-9-5-6-10-24(21)33-18-19-7-3-2-4-8-19/h2-12,17H,13-16,18H2,1H3