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

Systemtic Name: 2-[4-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioylamino]phenyl]ethanoic acid Openeye Name: 2-[4-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioylamino]phenyl]acetic acid CAS Name: 2-[4-[[[4-(2-pyrimidinylsulfamoyl)anilino]-sulfanylidenemethyl]amino]phenyl]acetic acid IUPAC Name: 2-[4-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioylamino]phenyl]acetic acid Traditional Name: 2-[4-[[4-(2-pyrimidylsulfamoyl)phenyl]thiocarbamoylamino]phenyl]acetic acid Formula: C19H17N5O4S2 MolecularWeight: 443.49938

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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)CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C19H17N5O4S2/c25-17(26)12-13-2-4-14(5-3-13)22-19(29)23-15-6-8-16(9-7-15)30(27,28)24-18-20-10-1-11-21-18/h1-11H,12H2,(H,25,26)(H,20,21,24)(H2,22,23,29)