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

Systemtic Name: dimethyl 5-[(3,4,5-trimethoxyphenyl)carbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(3,4,5-trimethoxyphenyl)carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[sulfanylidene-(3,4,5-trimethoxyanilino)methyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(3,4,5-trimethoxyphenyl)carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(3,4,5-trimethoxyphenyl)thiocarbamoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H22N2O7S MolecularWeight: 434.46288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O7S/c1-25-15-9-14(10-16(26-2)17(15)27-3)22-20(30)21-13-7-11(18(23)28-4)6-12(8-13)19(24)29-5/h6-10H,1-5H3,(H2,21,22,30)