4-ethanoyl-N-(4-nitrophenyl)piperazine-1-carbothioamide

Systemtic Name: 4-ethanoyl-N-(4-nitrophenyl)piperazine-1-carbothioamide Openeye Name: 4-acetyl-N-(4-nitrophenyl)piperazine-1-carbothioamide CAS Name: 4-acetyl-N-(4-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-acetyl-N-(4-nitrophenyl)piperazine-1-carbothioamide Traditional Name: 4-acetyl-N-(4-nitrophenyl)piperazine-1-carbothioamide Formula: C13H16N4O3S MolecularWeight: 308.35614

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

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