methyl 3-[[3-(2-ethoxyethoxy)phenyl]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 3-[[3-(2-ethoxyethoxy)phenyl]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[[3-(2-ethoxyethoxy)phenyl]carbamothioylcarbamoyl]benzoate CAS Name: 3-[[[[3-(2-ethoxyethoxy)anilino]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[3-(2-ethoxyethoxy)phenyl]carbamothioylcarbamoyl]benzoate Traditional Name: 3-[[3-(2-ethoxyethoxy)phenyl]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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