4-[(3-nitrophenyl)carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 4-[(3-nitrophenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 4-[(3-nitrobenzoyl)carbamothioylamino]benzoic acid CAS Name: 4-[[[[(3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-[(3-nitrobenzoyl)carbamothioylamino]benzoic acid Traditional Name: 4-[(3-nitrobenzoyl)thiocarbamoylamino]benzoic acid Formula: C15H11N3O5S MolecularWeight: 345.32994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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