methyl 2-[[4-(ethanoylsulfamoyl)phenyl]carbamothioylamino]benzoate

Systemtic Name: methyl 2-[[4-(ethanoylsulfamoyl)phenyl]carbamothioylamino]benzoate Openeye Name: methyl 2-[[4-(acetylsulfamoyl)phenyl]carbamothioylamino]benzoate CAS Name: 2-[[[4-(acetylsulfamoyl)anilino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-(acetylsulfamoyl)phenyl]carbamothioylamino]benzoate Traditional Name: 2-[[4-(acetylsulfamoyl)phenyl]thiocarbamoylamino]benzoic acid methyl ester Formula: C17H17N3O5S2 MolecularWeight: 407.46398

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=CC=C2C(=O)OC

Isomeric SMILES

CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=CC=C2C(=O)OC

InChI

InChI=1S/C17H17N3O5S2/c1-11(21)20-27(23,24)13-9-7-12(8-10-13)18-17(26)19-15-6-4-3-5-14(15)16(22)25-2/h3-10H,1-2H3,(H,20,21)(H2,18,19,26)