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

Systemtic Name: N-[(2-ethoxyethanoylamino)carbamothioyl]-3-nitro-benzamide Openeye Name: N-[[(2-ethoxyacetyl)amino]carbamothioyl]-3-nitro-benzamide CAS Name: N-[[(2-ethoxy-1-oxoethyl)hydrazo]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[[(2-ethoxyacetyl)amino]carbamothioyl]-3-nitrobenzamide Traditional Name: N-[[(2-ethoxyacetyl)amino]thiocarbamoyl]-3-nitro-benzamide Formula: C12H14N4O5S MolecularWeight: 326.32836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N4O5S/c1-2-21-7-10(17)14-15-12(22)13-11(18)8-4-3-5-9(6-8)16(19)20/h3-6H,2,7H2,1H3,(H,14,17)(H2,13,15,18,22)