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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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