3-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide

Systemtic Name: 3-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide Openeye Name: 3-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide CAS Name: 3-(1,3-benzoxazol-2-ylthio)-N-[4-(2-pyrimidinylsulfamoyl)phenyl]propanamide IUPAC Name: 3-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide Traditional Name: 3-(1,3-benzoxazol-2-ylthio)-N-[4-(2-pyrimidylsulfamoyl)phenyl]propionamide Formula: C20H17N5O4S2 MolecularWeight: 455.51008

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)SCCC(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)SCCC(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4

InChI

InChI=1S/C20H17N5O4S2/c26-18(10-13-30-20-24-16-4-1-2-5-17(16)29-20)23-14-6-8-15(9-7-14)31(27,28)25-19-21-11-3-12-22-19/h1-9,11-12H,10,13H2,(H,23,26)(H,21,22,25)