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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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