dimethyl 2-[(3,5-dimethylphenyl)carbamothioylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[(3,5-dimethylphenyl)carbamothioylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[(3,5-dimethylphenyl)carbamothioylamino]benzene-1,4-dicarboxylate CAS Name: 2-[[(3,5-dimethylanilino)-sulfanylidenemethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[(3,5-dimethylphenyl)carbamothioylamino]benzene-1,4-dicarboxylate Traditional Name: 2-[(3,5-dimethylphenyl)thiocarbamoylamino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=S)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=S)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC)C

InChI

InChI=1S/C19H20N2O4S/c1-11-7-12(2)9-14(8-11)20-19(26)21-16-10-13(17(22)24-3)5-6-15(16)18(23)25-4/h5-10H,1-4H3,(H2,20,21,26)