N-[4-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioylamino]phenyl]sulfonylbenzamide

Systemtic Name: N-[4-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioylamino]phenyl]sulfonylbenzamide Openeye Name: N-[4-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioylamino]phenyl]sulfonylbenzamide CAS Name: N-[4-[[[4-(2-pyrimidinylsulfamoyl)anilino]-sulfanylidenemethyl]amino]phenyl]sulfonylbenzamide IUPAC Name: N-[4-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioylamino]phenyl]sulfonylbenzamide Traditional Name: N-[4-[[4-(2-pyrimidylsulfamoyl)phenyl]thiocarbamoylamino]phenyl]sulfonylbenzamide Formula: C24H20N6O5S3 MolecularWeight: 568.6478

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4

InChI

InChI=1S/C24H20N6O5S3/c31-22(17-5-2-1-3-6-17)29-37(32,33)20-11-7-18(8-12-20)27-24(36)28-19-9-13-21(14-10-19)38(34,35)30-23-25-15-4-16-26-23/h1-16H,(H,29,31)(H,25,26,30)(H2,27,28,36)