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

Systemtic Name: 4-[(2-nitrophenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 4-[(2-nitrobenzoyl)carbamothioylamino]benzoic acid CAS Name: 4-[[[[(2-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-[(2-nitrobenzoyl)carbamothioylamino]benzoic acid Traditional Name: 4-[(2-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)NC(=S)NC2=CC=C(C=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)O)[N+](=O)[O-]

InChI

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