ethyl 4-[[2-[(4-iodophenyl)sulfamoyl]-4-methyl-phenyl]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[2-[(4-iodophenyl)sulfamoyl]-4-methyl-phenyl]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[2-[(4-iodophenyl)sulfamoyl]-4-methyl-phenyl]carbamothioylamino]benzoate CAS Name: 4-[[[2-[(4-iodophenyl)sulfamoyl]-4-methylanilino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(4-iodophenyl)sulfamoyl]-4-methylphenyl]carbamothioylamino]benzoate Traditional Name: 4-[[2-[(4-iodophenyl)sulfamoyl]-4-methyl-phenyl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C23H22IN3O4S2 MolecularWeight: 595.47295

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22IN3O4S2/c1-3-31-22(28)16-5-9-18(10-6-16)25-23(32)26-20-13-4-15(2)14-21(20)33(29,30)27-19-11-7-17(24)8-12-19/h4-14,27H,3H2,1-2H3,(H2,25,26,32)