N-[(2-cyanoethanoylamino)carbamothioyl]-2-nitro-benzamide

Systemtic Name: N-[(2-cyanoethanoylamino)carbamothioyl]-2-nitro-benzamide Openeye Name: N-[[(2-cyanoacetyl)amino]carbamothioyl]-2-nitro-benzamide CAS Name: N-[[(2-cyano-1-oxoethyl)hydrazo]-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[[(2-cyanoacetyl)amino]carbamothioyl]-2-nitrobenzamide Traditional Name: N-[[(2-cyanoacetyl)amino]thiocarbamoyl]-2-nitro-benzamide Formula: C11H9N5O4S MolecularWeight: 307.28526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H9N5O4S/c12-6-5-9(17)14-15-11(21)13-10(18)7-3-1-2-4-8(7)16(19)20/h1-4H,5H2,(H,14,17)(H2,13,15,18,21)