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

Systemtic Name: N-[(2-cyanoethanoylamino)carbamothioyl]-4-methyl-benzamide Openeye Name: N-[[(2-cyanoacetyl)amino]carbamothioyl]-4-methyl-benzamide CAS Name: N-[[(2-cyano-1-oxoethyl)hydrazo]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: N-[[(2-cyanoacetyl)amino]carbamothioyl]-4-methylbenzamide Traditional Name: N-[[(2-cyanoacetyl)amino]thiocarbamoyl]-4-methyl-benzamide Formula: C12H12N4O2S MolecularWeight: 276.31428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)CC#N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)CC#N

InChI

InChI=1S/C12H12N4O2S/c1-8-2-4-9(5-3-8)11(18)14-12(19)16-15-10(17)6-7-13/h2-5H,6H2,1H3,(H,15,17)(H2,14,16,18,19)