ethyl 4-[(3,5-dinitrophenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(3,5-dinitrophenyl)carbonylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[(3,5-dinitrobenzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(3,5-dinitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3,5-dinitrobenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(3,5-dinitrobenzoyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C17H14N4O7S MolecularWeight: 418.38066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N4O7S/c1-2-28-16(23)10-3-5-12(6-4-10)18-17(29)19-15(22)11-7-13(20(24)25)9-14(8-11)21(26)27/h3-9H,2H2,1H3,(H2,18,19,22,29)