dimethyl 5-[[(3,5-dimethoxyphenyl)carbonylamino]carbamothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[(3,5-dimethoxyphenyl)carbonylamino]carbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[(3,5-dimethoxybenzoyl)amino]carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[[[(3,5-dimethoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[(3,5-dimethoxybenzoyl)amino]carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[[(3,5-dimethoxybenzoyl)amino]thiocarbamoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H21N3O7S MolecularWeight: 447.46164

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)NNC(=S)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)NNC(=S)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)OC

InChI

InChI=1S/C20H21N3O7S/c1-27-15-8-11(9-16(10-15)28-2)17(24)22-23-20(31)21-14-6-12(18(25)29-3)5-13(7-14)19(26)30-4/h5-10H,1-4H3,(H,22,24)(H2,21,23,31)