N-[(3-ethoxypropanoylamino)carbamothioyl]-2-nitro-benzamide

Systemtic Name: N-[(3-ethoxypropanoylamino)carbamothioyl]-2-nitro-benzamide Openeye Name: N-[(3-ethoxypropanoylamino)carbamothioyl]-2-nitro-benzamide CAS Name: N-[[(3-ethoxy-1-oxopropyl)hydrazo]-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[(3-ethoxypropanoylamino)carbamothioyl]-2-nitrobenzamide Traditional Name: N-[(3-ethoxypropanoylamino)thiocarbamoyl]-2-nitro-benzamide Formula: C13H16N4O5S MolecularWeight: 340.35494

Click to see the large picture

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