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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)Cl

InChI

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