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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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