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

Systemtic Name: dimethyl 5-[(2,4-dimethylphenyl)carbonylcarbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(2,4-dimethylbenzoyl)carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[[[(2,4-dimethylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(2,4-dimethylbenzoyl)carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(2,4-dimethylbenzoyl)thiocarbamoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O5S/c1-11-5-6-16(12(2)7-11)17(23)22-20(28)21-15-9-13(18(24)26-3)8-14(10-15)19(25)27-4/h5-10H,1-4H3,(H2,21,22,23,28)