2-[(3,5-dinitrophenyl)carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 2-[(3,5-dinitrophenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 2-[(3,5-dinitrobenzoyl)carbamothioylamino]benzoic acid CAS Name: 2-[[[[(3,5-dinitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 2-[(3,5-dinitrobenzoyl)carbamothioylamino]benzoic acid Traditional Name: 2-[(3,5-dinitrobenzoyl)thiocarbamoylamino]benzoic acid Formula: C15H10N4O7S MolecularWeight: 390.3275

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H10N4O7S/c20-13(8-5-9(18(23)24)7-10(6-8)19(25)26)17-15(27)16-12-4-2-1-3-11(12)14(21)22/h1-7H,(H,21,22)(H2,16,17,20,27)