3-[2-(3,4-dimethylphenoxy)ethanoylcarbamothioylamino]benzoic acid

Systemtic Name: 3-[2-(3,4-dimethylphenoxy)ethanoylcarbamothioylamino]benzoic acid Openeye Name: 3-[[2-(3,4-dimethylphenoxy)acetyl]carbamothioylamino]benzoic acid CAS Name: 3-[[[[2-(3,4-dimethylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[[2-(3,4-dimethylphenoxy)acetyl]carbamothioylamino]benzoic acid Traditional Name: 3-[[2-(3,4-dimethylphenoxy)acetyl]thiocarbamoylamino]benzoic acid Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCC(=O)NC(=S)NC2=CC=CC(=C2)C(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)OCC(=O)NC(=S)NC2=CC=CC(=C2)C(=O)O)C

InChI

InChI=1S/C18H18N2O4S/c1-11-6-7-15(8-12(11)2)24-10-16(21)20-18(25)19-14-5-3-4-13(9-14)17(22)23/h3-9H,10H2,1-2H3,(H,22,23)(H2,19,20,21,25)