methyl 3-[[(3,4-dimethoxyphenyl)carbonylamino]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 3-[[(3,4-dimethoxyphenyl)carbonylamino]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[[(3,4-dimethoxybenzoyl)amino]carbamothioylcarbamoyl]benzoate CAS Name: 3-[[[[[(3,4-dimethoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[(3,4-dimethoxybenzoyl)amino]carbamothioylcarbamoyl]benzoate Traditional Name: 3-[(veratroylamino)thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C19H19N3O6S MolecularWeight: 417.43566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC(=CC=C2)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC(=CC=C2)C(=O)OC)OC

InChI

InChI=1S/C19H19N3O6S/c1-26-14-8-7-12(10-15(14)27-2)17(24)21-22-19(29)20-16(23)11-5-4-6-13(9-11)18(25)28-3/h4-10H,1-3H3,(H,21,24)(H2,20,22,23,29)