[2-[(4-methoxyphenyl)methylsulfanyl]phenyl]-[1-[(4-nitrophenyl)methyl]piperazin-2-yl]methanone

Systemtic Name: [2-[(4-methoxyphenyl)methylsulfanyl]phenyl]-[1-[(4-nitrophenyl)methyl]piperazin-2-yl]methanone Openeye Name: [2-[(4-methoxyphenyl)methylsulfanyl]phenyl]-[1-[(4-nitrophenyl)methyl]piperazin-2-yl]methanone CAS Name: [2-[(4-methoxyphenyl)methylthio]phenyl]-[1-[(4-nitrophenyl)methyl]-2-piperazinyl]methanone IUPAC Name: [2-[(4-methoxyphenyl)methylsulfanyl]phenyl]-[1-[(4-nitrophenyl)methyl]piperazin-2-yl]methanone Traditional Name: [1-(4-nitrobenzyl)piperazin-2-yl]-[2-(p-anisylthio)phenyl]methanone Formula: C26H27N3O4S MolecularWeight: 477.57528

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC2=CC=CC=C2C(=O)C3CNCCN3CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CSC2=CC=CC=C2C(=O)C3CNCCN3CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H27N3O4S/c1-33-22-12-8-20(9-13-22)18-34-25-5-3-2-4-23(25)26(30)24-16-27-14-15-28(24)17-19-6-10-21(11-7-19)29(31)32/h2-13,24,27H,14-18H2,1H3