3-(2-phenoxyethanoylcarbamothioylamino)benzoic acid

Systemtic Name: 3-(2-phenoxyethanoylcarbamothioylamino)benzoic acid Openeye Name: 3-[(2-phenoxyacetyl)carbamothioylamino]benzoic acid CAS Name: 3-[[[(1-oxo-2-phenoxyethyl)amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[(2-phenoxyacetyl)carbamothioylamino]benzoic acid Traditional Name: 3-[(2-phenoxyacetyl)thiocarbamoylamino]benzoic acid Formula: C16H14N2O4S MolecularWeight: 330.35836

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(=O)NC(=S)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OCC(=O)NC(=S)NC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C16H14N2O4S/c19-14(10-22-13-7-2-1-3-8-13)18-16(23)17-12-6-4-5-11(9-12)15(20)21/h1-9H,10H2,(H,20,21)(H2,17,18,19,23)