4-[2-(2-methylphenoxy)ethanoylcarbamothioylamino]benzoic acid

Systemtic Name: 4-[2-(2-methylphenoxy)ethanoylcarbamothioylamino]benzoic acid Openeye Name: 4-[[2-(2-methylphenoxy)acetyl]carbamothioylamino]benzoic acid CAS Name: 4-[[[[2-(2-methylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-[[2-(2-methylphenoxy)acetyl]carbamothioylamino]benzoic acid Traditional Name: 4-[[2-(2-methylphenoxy)acetyl]thiocarbamoylamino]benzoic acid Formula: C17H16N2O4S MolecularWeight: 344.38494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(=O)NC(=S)NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1OCC(=O)NC(=S)NC2=CC=C(C=C2)C(=O)O

InChI

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