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

Systemtic Name: methyl 4-[(3,4,5-trimethoxyphenyl)carbonylcarbamothioylamino]benzoate Openeye Name: methyl 4-[(3,4,5-trimethoxybenzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(3,4,5-trimethoxybenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(3,4,5-trimethoxybenzoyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C19H20N2O6S MolecularWeight: 404.4369

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C19H20N2O6S/c1-24-14-9-12(10-15(25-2)16(14)26-3)17(22)21-19(28)20-13-7-5-11(6-8-13)18(23)27-4/h5-10H,1-4H3,(H2,20,21,22,28)