dimethyl 5-[(3,5-dinitrophenyl)carbonylcarbamothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(3,5-dinitrophenyl)carbonylcarbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(3,5-dinitrobenzoyl)carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[[[(3,5-dinitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(3,5-dinitrobenzoyl)carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(3,5-dinitrobenzoyl)thiocarbamoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C18H14N4O9S MolecularWeight: 462.39016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14N4O9S/c1-30-16(24)10-3-11(17(25)31-2)5-12(4-10)19-18(32)20-15(23)9-6-13(21(26)27)8-14(7-9)22(28)29/h3-8H,1-2H3,(H2,19,20,23,32)