2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide Openeye Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide CAS Name: 2-(1H-benzimidazol-2-ylthio)-N-[4-(2-pyrimidinylsulfamoyl)phenyl]propanamide IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide Traditional Name: 2-(1H-benzimidazol-2-ylthio)-N-[4-(2-pyrimidylsulfamoyl)phenyl]propionamide Formula: C20H18N6O3S2 MolecularWeight: 454.52532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2)SC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2)SC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C20H18N6O3S2/c1-13(30-20-24-16-5-2-3-6-17(16)25-20)18(27)23-14-7-9-15(10-8-14)31(28,29)26-19-21-11-4-12-22-19/h2-13H,1H3,(H,23,27)(H,24,25)(H,21,22,26)