dimethyl 5-[(3,4,5-trimethoxyphenyl)carbonylcarbamothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(3,4,5-trimethoxyphenyl)carbonylcarbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(3,4,5-trimethoxybenzoyl)carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(3,4,5-trimethoxybenzoyl)carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(3,4,5-trimethoxybenzoyl)thiocarbamoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H22N2O8S MolecularWeight: 462.47298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O8S/c1-27-15-9-11(10-16(28-2)17(15)29-3)18(24)23-21(32)22-14-7-12(19(25)30-4)6-13(8-14)20(26)31-5/h6-10H,1-5H3,(H2,22,23,24,32)