N-[[(2-methoxyphenyl)carbonylamino]carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[[(2-methoxyphenyl)carbonylamino]carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[[(2-methoxybenzoyl)amino]carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[[(2-methoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[[(2-methoxybenzoyl)amino]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: 3,5-dinitro-N-[(o-anisoylamino)thiocarbamoyl]benzamide Formula: C16H13N5O7S MolecularWeight: 419.36872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NNC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1C(=O)NNC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H13N5O7S/c1-28-13-5-3-2-4-12(13)15(23)18-19-16(29)17-14(22)9-6-10(20(24)25)8-11(7-9)21(26)27/h2-8H,1H3,(H,18,23)(H2,17,19,22,29)