3,5-dinitro-N-[(thiophen-2-ylcarbonylamino)carbamothioyl]benzamide

Systemtic Name: 3,5-dinitro-N-[(thiophen-2-ylcarbonylamino)carbamothioyl]benzamide Openeye Name: 3,5-dinitro-N-[(thiophene-2-carbonylamino)carbamothioyl]benzamide CAS Name: 3,5-dinitro-N-[[[oxo(thiophen-2-yl)methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dinitro-N-[(thiophene-2-carbonylamino)carbamothioyl]benzamide Traditional Name: 3,5-dinitro-N-[(2-thenoylamino)thiocarbamoyl]benzamide Formula: C13H9N5O6S2 MolecularWeight: 395.37046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(=O)NNC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CSC(=C1)C(=O)NNC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H9N5O6S2/c19-11(7-4-8(17(21)22)6-9(5-7)18(23)24)14-13(25)16-15-12(20)10-2-1-3-26-10/h1-6H,(H,15,20)(H2,14,16,19,25)