N-[(2-cyanoethanoylamino)carbamothioyl]pentanamide

Systemtic Name: N-[(2-cyanoethanoylamino)carbamothioyl]pentanamide Openeye Name: N-[[(2-cyanoacetyl)amino]carbamothioyl]pentanamide CAS Name: N-[[(2-cyano-1-oxoethyl)hydrazo]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[[(2-cyanoacetyl)amino]carbamothioyl]pentanamide Traditional Name: N-[[(2-cyanoacetyl)amino]thiocarbamoyl]valeramide Formula: C9H14N4O2S MolecularWeight: 242.29806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=S)NNC(=O)CC#N

Isomeric SMILES

CCCCC(=O)NC(=S)NNC(=O)CC#N

InChI

InChI=1S/C9H14N4O2S/c1-2-3-4-7(14)11-9(16)13-12-8(15)5-6-10/h2-5H2,1H3,(H,12,15)(H2,11,13,14,16)