2-(4-nitrophenoxy)-N-[[(4-nitrophenyl)carbonylamino]carbamothioyl]ethanamide

Systemtic Name: 2-(4-nitrophenoxy)-N-[[(4-nitrophenyl)carbonylamino]carbamothioyl]ethanamide Openeye Name: N-[[(4-nitrobenzoyl)amino]carbamothioyl]-2-(4-nitrophenoxy)acetamide CAS Name: 2-(4-nitrophenoxy)-N-[[[(4-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]acetamide IUPAC Name: N-[[(4-nitrobenzoyl)amino]carbamothioyl]-2-(4-nitrophenoxy)acetamide Traditional Name: N-[[(4-nitrobenzoyl)amino]thiocarbamoyl]-2-(4-nitrophenoxy)acetamide Formula: C16H13N5O7S MolecularWeight: 419.36872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NNC(=S)NC(=O)COC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NNC(=S)NC(=O)COC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H13N5O7S/c22-14(9-28-13-7-5-12(6-8-13)21(26)27)17-16(29)19-18-15(23)10-1-3-11(4-2-10)20(24)25/h1-8H,9H2,(H,18,23)(H2,17,19,22,29)