ethyl 4-[[(4-chloranyl-2,5-dimethoxy-phenyl)carbamothioylamino]sulfamoyl]benzoate

Systemtic Name: ethyl 4-[[(4-chloranyl-2,5-dimethoxy-phenyl)carbamothioylamino]sulfamoyl]benzoate Openeye Name: ethyl 4-[[(4-chloro-2,5-dimethoxy-phenyl)carbamothioylamino]sulfamoyl]benzoate CAS Name: 4-[[[(4-chloro-2,5-dimethoxyanilino)-sulfanylidenemethyl]amino]sulfamoyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(4-chloro-2,5-dimethoxyphenyl)carbamothioylamino]sulfamoyl]benzoate Traditional Name: 4-[[(4-chloro-2,5-dimethoxy-phenyl)thiocarbamoylamino]sulfamoyl]benzoic acid ethyl ester Formula: C18H20ClN3O6S2 MolecularWeight: 473.9509

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)NNC(=S)NC2=CC(=C(C=C2OC)Cl)OC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)NNC(=S)NC2=CC(=C(C=C2OC)Cl)OC

InChI

InChI=1S/C18H20ClN3O6S2/c1-4-28-17(23)11-5-7-12(8-6-11)30(24,25)22-21-18(29)20-14-10-15(26-2)13(19)9-16(14)27-3/h5-10,22H,4H2,1-3H3,(H2,20,21,29)