4-[(4-methoxy-3-nitro-phenyl)carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 4-[(4-methoxy-3-nitro-phenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 4-[(4-methoxy-3-nitro-benzoyl)carbamothioylamino]benzoic acid CAS Name: 4-[[[[(4-methoxy-3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-[(4-methoxy-3-nitrobenzoyl)carbamothioylamino]benzoic acid Traditional Name: 4-[(4-methoxy-3-nitro-benzoyl)thiocarbamoylamino]benzoic acid Formula: C16H13N3O6S MolecularWeight: 375.35592

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O6S/c1-25-13-7-4-10(8-12(13)19(23)24)14(20)18-16(26)17-11-5-2-9(3-6-11)15(21)22/h2-8H,1H3,(H,21,22)(H2,17,18,20,26)