3-[(3-nitrophenyl)carbonylcarbamothioylamino]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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