4-bromanyl-N-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 4-bromanyl-N-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 4-bromo-N-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide CAS Name: 4-bromo-N-[[4-(2-pyrimidinylsulfamoyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-bromo-N-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 4-bromo-N-[[4-(2-pyrimidylsulfamoyl)phenyl]thiocarbamoyl]benzamide Formula: C18H14BrN5O3S2 MolecularWeight: 492.36946

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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)NC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C18H14BrN5O3S2/c19-13-4-2-12(3-5-13)16(25)23-18(28)22-14-6-8-15(9-7-14)29(26,27)24-17-20-10-1-11-21-17/h1-11H,(H,20,21,24)(H2,22,23,25,28)