4-cyano-N-[(2-cyanoethanoylamino)carbamothioyl]benzamide

Systemtic Name: 4-cyano-N-[(2-cyanoethanoylamino)carbamothioyl]benzamide Openeye Name: 4-cyano-N-[[(2-cyanoacetyl)amino]carbamothioyl]benzamide CAS Name: 4-cyano-N-[[(2-cyano-1-oxoethyl)hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 4-cyano-N-[[(2-cyanoacetyl)amino]carbamothioyl]benzamide Traditional Name: 4-cyano-N-[[(2-cyanoacetyl)amino]thiocarbamoyl]benzamide Formula: C12H9N5O2S MolecularWeight: 287.29716

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C(=O)NC(=S)NNC(=O)CC#N

Isomeric SMILES

C1=CC(=CC=C1C#N)C(=O)NC(=S)NNC(=O)CC#N

InChI

InChI=1S/C12H9N5O2S/c13-6-5-10(18)16-17-12(20)15-11(19)9-3-1-8(7-14)2-4-9/h1-4H,5H2,(H,16,18)(H2,15,17,19,20)