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

Systemtic Name: N-[(2-cyanoethanoylamino)carbamothioyl]-3-nitro-benzamide Openeye Name: N-[[(2-cyanoacetyl)amino]carbamothioyl]-3-nitro-benzamide CAS Name: N-[[(2-cyano-1-oxoethyl)hydrazo]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[[(2-cyanoacetyl)amino]carbamothioyl]-3-nitrobenzamide Traditional Name: N-[[(2-cyanoacetyl)amino]thiocarbamoyl]-3-nitro-benzamide Formula: C11H9N5O4S MolecularWeight: 307.28526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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