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

Systemtic Name: diethyl 5-[(3,4-dimethylphenyl)carbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: diethyl 5-[(3,4-dimethylphenyl)carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[(3,4-dimethylanilino)-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(3,4-dimethylphenyl)carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(3,4-dimethylphenyl)thiocarbamoylamino]benzene-1,3-dicarboxylic acid diethyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)NC(=S)NC2=CC(=C(C=C2)C)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)NC(=S)NC2=CC(=C(C=C2)C)C)C(=O)OCC

InChI

InChI=1S/C21H24N2O4S/c1-5-26-19(24)15-10-16(20(25)27-6-2)12-18(11-15)23-21(28)22-17-8-7-13(3)14(4)9-17/h7-12H,5-6H2,1-4H3,(H2,22,23,28)