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

Systemtic Name: dimethyl 2-[(3,4-dichlorophenyl)carbamothioylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[(3,4-dichlorophenyl)carbamothioylamino]benzene-1,4-dicarboxylate CAS Name: 2-[[(3,4-dichloroanilino)-sulfanylidenemethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[(3,4-dichlorophenyl)carbamothioylamino]benzene-1,4-dicarboxylate Traditional Name: 2-[(3,4-dichlorophenyl)thiocarbamoylamino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C17H14Cl2N2O4S MolecularWeight: 413.27506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14Cl2N2O4S/c1-24-15(22)9-3-5-11(16(23)25-2)14(7-9)21-17(26)20-10-4-6-12(18)13(19)8-10/h3-8H,1-2H3,(H2,20,21,26)