4-methoxy-3-[2-(3-methylphenoxy)ethanoylcarbamothioylamino]benzoic acid

Systemtic Name: 4-methoxy-3-[2-(3-methylphenoxy)ethanoylcarbamothioylamino]benzoic acid Openeye Name: 4-methoxy-3-[[2-(3-methylphenoxy)acetyl]carbamothioylamino]benzoic acid CAS Name: 4-methoxy-3-[[[[2-(3-methylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-methoxy-3-[[2-(3-methylphenoxy)acetyl]carbamothioylamino]benzoic acid Traditional Name: 4-methoxy-3-[[2-(3-methylphenoxy)acetyl]thiocarbamoylamino]benzoic acid Formula: C18H18N2O5S MolecularWeight: 374.41092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O5S/c1-11-4-3-5-13(8-11)25-10-16(21)20-18(26)19-14-9-12(17(22)23)6-7-15(14)24-2/h3-9H,10H2,1-2H3,(H,22,23)(H2,19,20,21,26)