ethyl 4-[(3,4,5-trimethoxyphenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(3,4,5-trimethoxyphenyl)carbonylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[(3,4,5-trimethoxybenzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3,4,5-trimethoxybenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(3,4,5-trimethoxybenzoyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C20H22N2O6S MolecularWeight: 418.46348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O6S/c1-5-28-19(24)12-6-8-14(9-7-12)21-20(29)22-18(23)13-10-15(25-2)17(27-4)16(11-13)26-3/h6-11H,5H2,1-4H3,(H2,21,22,23,29)