1-(4-ethanoylpiperazin-1-yl)-2-(4-nitrophenyl)sulfanyl-ethanone

Systemtic Name: 1-(4-ethanoylpiperazin-1-yl)-2-(4-nitrophenyl)sulfanyl-ethanone Openeye Name: 1-(4-acetylpiperazin-1-yl)-2-(4-nitrophenyl)sulfanyl-ethanone CAS Name: 1-(4-acetyl-1-piperazinyl)-2-[(4-nitrophenyl)thio]ethanone IUPAC Name: 1-(4-acetylpiperazin-1-yl)-2-(4-nitrophenyl)sulfanylethanone Traditional Name: 1-(4-acetylpiperazino)-2-[(4-nitrophenyl)thio]ethanone Formula: C14H17N3O4S MolecularWeight: 323.36748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H17N3O4S/c1-11(18)15-6-8-16(9-7-15)14(19)10-22-13-4-2-12(3-5-13)17(20)21/h2-5H,6-10H2,1H3