methyl 4-[[4-(2-ethoxyethoxy)phenyl]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 4-[[4-(2-ethoxyethoxy)phenyl]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[[4-(2-ethoxyethoxy)phenyl]carbamothioylcarbamoyl]benzoate CAS Name: 4-[[[[4-(2-ethoxyethoxy)anilino]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(2-ethoxyethoxy)phenyl]carbamothioylcarbamoyl]benzoate Traditional Name: 4-[[4-(2-ethoxyethoxy)phenyl]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C20H22N2O5S MolecularWeight: 402.46408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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