3-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioylamino]benzoic acid

Systemtic Name: 3-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioylamino]benzoic acid Openeye Name: 3-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioylamino]benzoic acid CAS Name: 3-[[[4-(2-pyrimidinylsulfamoyl)anilino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioylamino]benzoic acid Traditional Name: 3-[[4-(2-pyrimidylsulfamoyl)phenyl]thiocarbamoylamino]benzoic acid Formula: C18H15N5O4S2 MolecularWeight: 429.4728

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)C(=O)O

InChI

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