N-[[(3,4-dimethoxyphenyl)carbonylamino]carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[[(3,4-dimethoxyphenyl)carbonylamino]carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[[(3,4-dimethoxybenzoyl)amino]carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[[(3,4-dimethoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[[(3,4-dimethoxybenzoyl)amino]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: 3,5-dinitro-N-[(veratroylamino)thiocarbamoyl]benzamide Formula: C17H15N5O8S MolecularWeight: 449.3947

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])OC

InChI

InChI=1S/C17H15N5O8S/c1-29-13-4-3-9(7-14(13)30-2)16(24)19-20-17(31)18-15(23)10-5-11(21(25)26)8-12(6-10)22(27)28/h3-8H,1-2H3,(H,19,24)(H2,18,20,23,31)