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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NC(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NC(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

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