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

Systemtic Name: ethyl 3-[2-(2,5-dimethylphenoxy)ethanoylcarbamothioylamino]benzoate Openeye Name: ethyl 3-[[2-(2,5-dimethylphenoxy)acetyl]carbamothioylamino]benzoate CAS Name: 3-[[[[2-(2,5-dimethylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(2,5-dimethylphenoxy)acetyl]carbamothioylamino]benzoate Traditional Name: 3-[[2-(2,5-dimethylphenoxy)acetyl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)COC2=C(C=CC(=C2)C)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)COC2=C(C=CC(=C2)C)C

InChI

InChI=1S/C20H22N2O4S/c1-4-25-19(24)15-6-5-7-16(11-15)21-20(27)22-18(23)12-26-17-10-13(2)8-9-14(17)3/h5-11H,4,12H2,1-3H3,(H2,21,22,23,27)