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

Systemtic Name: diethyl 2-[(2,3-dimethylphenyl)carbamothioylamino]benzene-1,4-dicarboxylate Openeye Name: diethyl 2-[(2,3-dimethylphenyl)carbamothioylamino]benzene-1,4-dicarboxylate CAS Name: 2-[[(2,3-dimethylanilino)-sulfanylidenemethyl]amino]benzene-1,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-[(2,3-dimethylphenyl)carbamothioylamino]benzene-1,4-dicarboxylate Traditional Name: 2-[(2,3-dimethylphenyl)thiocarbamoylamino]benzene-1,4-dicarboxylic acid diethyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)C(=O)OCC)NC(=S)NC2=CC=CC(=C2C)C

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)C(=O)OCC)NC(=S)NC2=CC=CC(=C2C)C

InChI

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