1-[4-(3-nitrophenyl)carbothioylpiperazin-1-yl]ethanone

Systemtic Name: 1-[4-(3-nitrophenyl)carbothioylpiperazin-1-yl]ethanone Openeye Name: 1-[4-(3-nitrobenzenecarbothioyl)piperazin-1-yl]ethanone CAS Name: 1-[4-[(3-nitrophenyl)-sulfanylidenemethyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-(3-nitrobenzenecarbothioyl)piperazin-1-yl]ethanone Traditional Name: 1-[4-(3-nitrothiobenzoyl)piperazino]ethanone Formula: C13H15N3O3S MolecularWeight: 293.3415

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O3S/c1-10(17)14-5-7-15(8-6-14)13(20)11-3-2-4-12(9-11)16(18)19/h2-4,9H,5-8H2,1H3