methyl 3-[2-(2,5-dimethylphenoxy)ethanoylcarbamothioylamino]benzoate

Systemtic Name: methyl 3-[2-(2,5-dimethylphenoxy)ethanoylcarbamothioylamino]benzoate Openeye Name: methyl 3-[[2-(2,5-dimethylphenoxy)acetyl]carbamothioylamino]benzoate CAS Name: 3-[[[[2-(2,5-dimethylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(2,5-dimethylphenoxy)acetyl]carbamothioylamino]benzoate Traditional Name: 3-[[2-(2,5-dimethylphenoxy)acetyl]thiocarbamoylamino]benzoic acid methyl ester Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O4S/c1-12-7-8-13(2)16(9-12)25-11-17(22)21-19(26)20-15-6-4-5-14(10-15)18(23)24-3/h4-10H,11H2,1-3H3,(H2,20,21,22,26)