dimethyl 5-[[(3,4-dichlorophenyl)carbonylamino]carbamothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[(3,4-dichlorophenyl)carbonylamino]carbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[(3,4-dichlorobenzoyl)amino]carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[[[(3,4-dichlorophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[(3,4-dichlorobenzoyl)amino]carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[[(3,4-dichlorobenzoyl)amino]thiocarbamoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C18H15Cl2N3O5S MolecularWeight: 456.2998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15Cl2N3O5S/c1-27-16(25)10-5-11(17(26)28-2)7-12(6-10)21-18(29)23-22-15(24)9-3-4-13(19)14(20)8-9/h3-8H,1-2H3,(H,22,24)(H2,21,23,29)