N-(2-ethyl-3-oxidanylidene-piperazin-1-yl)carbothioyl-2-nitro-benzamide

Systemtic Name: N-(2-ethyl-3-oxidanylidene-piperazin-1-yl)carbothioyl-2-nitro-benzamide Openeye Name: N-(2-ethyl-3-oxo-piperazine-1-carbothioyl)-2-nitro-benzamide CAS Name: N-[(2-ethyl-3-oxo-1-piperazinyl)-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-(2-ethyl-3-oxopiperazine-1-carbothioyl)-2-nitrobenzamide Traditional Name: N-(2-ethyl-3-keto-piperazine-1-carbothioyl)-2-nitro-benzamide Formula: C14H16N4O4S MolecularWeight: 336.36624

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)NCCN1C(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCC1C(=O)NCCN1C(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C14H16N4O4S/c1-2-10-13(20)15-7-8-17(10)14(23)16-12(19)9-5-3-4-6-11(9)18(21)22/h3-6,10H,2,7-8H2,1H3,(H,15,20)(H,16,19,23)