methyl 4-[[3-(2-methoxyethylcarbamoyl)phenyl]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 4-[[3-(2-methoxyethylcarbamoyl)phenyl]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[[3-(2-methoxyethylcarbamoyl)phenyl]carbamothioylcarbamoyl]benzoate CAS Name: 4-[[[[3-[(2-methoxyethylamino)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(2-methoxyethylcarbamoyl)phenyl]carbamothioylcarbamoyl]benzoate Traditional Name: 4-[[3-(2-methoxyethylcarbamoyl)phenyl]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C20H21N3O5S MolecularWeight: 415.46284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O5S/c1-27-11-10-21-17(24)15-4-3-5-16(12-15)22-20(29)23-18(25)13-6-8-14(9-7-13)19(26)28-2/h3-9,12H,10-11H2,1-2H3,(H,21,24)(H2,22,23,25,29)