4-[[methyl(2-phenoxyethanoyl)carbamothioyl]amino]benzoic acid

Systemtic Name: 4-[[methyl(2-phenoxyethanoyl)carbamothioyl]amino]benzoic acid Openeye Name: 4-[[methyl-(2-phenoxyacetyl)carbamothioyl]amino]benzoic acid CAS Name: 4-[[[methyl-(1-oxo-2-phenoxyethyl)amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-[[methyl-(2-phenoxyacetyl)carbamothioyl]amino]benzoic acid Traditional Name: 4-[[methyl-(2-phenoxyacetyl)thiocarbamoyl]amino]benzoic acid Formula: C17H16N2O4S MolecularWeight: 344.38494

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC1=CC=CC=C1)C(=S)NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CN(C(=O)COC1=CC=CC=C1)C(=S)NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C17H16N2O4S/c1-19(15(20)11-23-14-5-3-2-4-6-14)17(24)18-13-9-7-12(8-10-13)16(21)22/h2-10H,11H2,1H3,(H,18,24)(H,21,22)