ethyl 4-[[4-[(4-chlorophenyl)sulfamoyl]phenyl]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[4-[(4-chlorophenyl)sulfamoyl]phenyl]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[4-[(4-chlorophenyl)sulfamoyl]phenyl]carbamothioylamino]benzoate CAS Name: 4-[[[4-[(4-chlorophenyl)sulfamoyl]anilino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-[(4-chlorophenyl)sulfamoyl]phenyl]carbamothioylamino]benzoate Traditional Name: 4-[[4-[(4-chlorophenyl)sulfamoyl]phenyl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C22H20ClN3O4S2 MolecularWeight: 489.9949

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H20ClN3O4S2/c1-2-30-21(27)15-3-7-17(8-4-15)24-22(31)25-18-11-13-20(14-12-18)32(28,29)26-19-9-5-16(23)6-10-19/h3-14,26H,2H2,1H3,(H2,24,25,31)