methyl 4-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 4-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[[4-(thiazol-2-ylsulfamoyl)phenyl]carbamothioylcarbamoyl]benzoate CAS Name: 4-[oxo-[[sulfanylidene-[4-(2-thiazolylsulfamoyl)anilino]methyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioylcarbamoyl]benzoate Traditional Name: 4-[[4-(thiazol-2-ylsulfamoyl)phenyl]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C19H16N4O5S3 MolecularWeight: 476.54914

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3

InChI

InChI=1S/C19H16N4O5S3/c1-28-17(25)13-4-2-12(3-5-13)16(24)22-18(29)21-14-6-8-15(9-7-14)31(26,27)23-19-20-10-11-30-19/h2-11H,1H3,(H,20,23)(H2,21,22,24,29)