2-[(4-nitrophenyl)carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 2-[(4-nitrophenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 2-[(4-nitrobenzoyl)carbamothioylamino]benzoic acid CAS Name: 2-[[[[(4-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 2-[(4-nitrobenzoyl)carbamothioylamino]benzoic acid Traditional Name: 2-[(4-nitrobenzoyl)thiocarbamoylamino]benzoic acid Formula: C15H11N3O5S MolecularWeight: 345.32994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11N3O5S/c19-13(9-5-7-10(8-6-9)18(22)23)17-15(24)16-12-4-2-1-3-11(12)14(20)21/h1-8H,(H,20,21)(H2,16,17,19,24)