1-[4-(4-ethanoylphenyl)piperazin-1-yl]-2-(4-nitrophenyl)sulfanyl-ethanone

Systemtic Name: 1-[4-(4-ethanoylphenyl)piperazin-1-yl]-2-(4-nitrophenyl)sulfanyl-ethanone Openeye Name: 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-(4-nitrophenyl)sulfanyl-ethanone CAS Name: 1-[4-(4-acetylphenyl)-1-piperazinyl]-2-[(4-nitrophenyl)thio]ethanone IUPAC Name: 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-(4-nitrophenyl)sulfanylethanone Traditional Name: 1-[4-(4-acetylphenyl)piperazino]-2-[(4-nitrophenyl)thio]ethanone Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O4S/c1-15(24)16-2-4-17(5-3-16)21-10-12-22(13-11-21)20(25)14-28-19-8-6-18(7-9-19)23(26)27/h2-9H,10-14H2,1H3