dimethyl 5-[[3,5-bis(chloranyl)phenyl]carbamothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[3,5-bis(chloranyl)phenyl]carbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(3,5-dichlorophenyl)carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[(3,5-dichloroanilino)-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(3,5-dichlorophenyl)carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(3,5-dichlorophenyl)thiocarbamoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C17H14Cl2N2O4S MolecularWeight: 413.27506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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