N-[(3-ethoxypropanoylamino)carbamothioyl]-3-nitro-benzamide

Systemtic Name: N-[(3-ethoxypropanoylamino)carbamothioyl]-3-nitro-benzamide Openeye Name: N-[(3-ethoxypropanoylamino)carbamothioyl]-3-nitro-benzamide CAS Name: N-[[(3-ethoxy-1-oxopropyl)hydrazo]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[(3-ethoxypropanoylamino)carbamothioyl]-3-nitrobenzamide Traditional Name: N-[(3-ethoxypropanoylamino)thiocarbamoyl]-3-nitro-benzamide Formula: C13H16N4O5S MolecularWeight: 340.35494

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCC(=O)NNC(=S)NC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

CCOCCC(=O)NNC(=S)NC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C13H16N4O5S/c1-2-22-7-6-11(18)15-16-13(23)14-12(19)9-4-3-5-10(8-9)17(20)21/h3-5,8H,2,6-7H2,1H3,(H,15,18)(H2,14,16,19,23)