4-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioylamino]benzoic acid

Systemtic Name: 4-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioylamino]benzoic acid Openeye Name: 4-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioylamino]benzoic acid CAS Name: 4-[[[4-(2-pyrimidinylsulfamoyl)anilino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioylamino]benzoic acid Traditional Name: 4-[[4-(2-pyrimidylsulfamoyl)phenyl]thiocarbamoylamino]benzoic acid Formula: C18H15N5O4S2 MolecularWeight: 429.4728

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C18H15N5O4S2/c24-16(25)12-2-4-13(5-3-12)21-18(28)22-14-6-8-15(9-7-14)29(26,27)23-17-19-10-1-11-20-17/h1-11H,(H,24,25)(H,19,20,23)(H2,21,22,28)