3-[(2-nitrophenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: 3-[(2-nitrophenyl)carbonylcarbamothioylamino]benzoate Openeye Name: 3-[(2-nitrobenzoyl)carbamothioylamino]benzoate CAS Name: 3-[[[[(2-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoate IUPAC Name: 3-[(2-nitrobenzoyl)carbamothioylamino]benzoate Traditional Name: 3-[(2-nitrobenzoyl)thiocarbamoylamino]benzoate Formula: C15H10N3O5S- MolecularWeight: 344.322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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