1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[(4-nitrophenyl)methylsulfanyl]ethanone

Systemtic Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[(4-nitrophenyl)methylsulfanyl]ethanone Openeye Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[(4-nitrophenyl)methylsulfanyl]ethanone CAS Name: 1-[4-(4-methoxyphenyl)-1-piperazinyl]-2-[(4-nitrophenyl)methylthio]ethanone IUPAC Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[(4-nitrophenyl)methylsulfanyl]ethanone Traditional Name: 1-[4-(4-methoxyphenyl)piperazino]-2-[(4-nitrobenzyl)thio]ethanone Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CSCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CSCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O4S/c1-27-19-8-6-17(7-9-19)21-10-12-22(13-11-21)20(24)15-28-14-16-2-4-18(5-3-16)23(25)26/h2-9H,10-15H2,1H3