methyl 4-[[3-(2-ethoxyethoxy)phenyl]carbonylcarbamothioylamino]benzoate

Systemtic Name: methyl 4-[[3-(2-ethoxyethoxy)phenyl]carbonylcarbamothioylamino]benzoate Openeye Name: methyl 4-[[3-(2-ethoxyethoxy)benzoyl]carbamothioylamino]benzoate CAS Name: 4-[[[[[3-(2-ethoxyethoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(2-ethoxyethoxy)benzoyl]carbamothioylamino]benzoate Traditional Name: 4-[[3-(2-ethoxyethoxy)benzoyl]thiocarbamoylamino]benzoic acid methyl ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCOCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C20H22N2O5S/c1-3-26-11-12-27-17-6-4-5-15(13-17)18(23)22-20(28)21-16-9-7-14(8-10-16)19(24)25-2/h4-10,13H,3,11-12H2,1-2H3,(H2,21,22,23,28)