1-[4-(2-nitrophenyl)carbothioylpiperazin-1-yl]ethanone

Systemtic Name: 1-[4-(2-nitrophenyl)carbothioylpiperazin-1-yl]ethanone Openeye Name: 1-[4-(2-nitrobenzenecarbothioyl)piperazin-1-yl]ethanone CAS Name: 1-[4-[(2-nitrophenyl)-sulfanylidenemethyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-(2-nitrobenzenecarbothioyl)piperazin-1-yl]ethanone Traditional Name: 1-[4-(2-nitrothiobenzoyl)piperazino]ethanone Formula: C13H15N3O3S MolecularWeight: 293.3415

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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)14-6-8-15(9-7-14)13(20)11-4-2-3-5-12(11)16(18)19/h2-5H,6-9H2,1H3