ethyl 4-[[3-[(4-chlorophenyl)sulfamoyl]phenyl]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[3-[(4-chlorophenyl)sulfamoyl]phenyl]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[3-[(4-chlorophenyl)sulfamoyl]phenyl]carbamothioylamino]benzoate CAS Name: 4-[[[3-[(4-chlorophenyl)sulfamoyl]anilino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-[(4-chlorophenyl)sulfamoyl]phenyl]carbamothioylamino]benzoate Traditional Name: 4-[[3-[(4-chlorophenyl)sulfamoyl]phenyl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C22H20ClN3O4S2 MolecularWeight: 489.9949

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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