N-[4-(4-nitrophenyl)piperazin-1-yl]carbothioylethanamide

Systemtic Name: N-[4-(4-nitrophenyl)piperazin-1-yl]carbothioylethanamide Openeye Name: N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]acetamide CAS Name: N-[[4-(4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]acetamide IUPAC Name: N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]acetamide Traditional Name: N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]acetamide Formula: C13H16N4O3S MolecularWeight: 308.35614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N4O3S/c1-10(18)14-13(21)16-8-6-15(7-9-16)11-2-4-12(5-3-11)17(19)20/h2-5H,6-9H2,1H3,(H,14,18,21)