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

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide CAS Name: 2-(1,3-benzoxazol-2-ylthio)-N-[4-(2-pyrimidinylsulfamoyl)phenyl]butanamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-N-[4-(2-pyrimidylsulfamoyl)phenyl]butyramide Formula: C21H19N5O4S2 MolecularWeight: 469.53666

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2)SC3=NC4=CC=CC=C4O3

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2)SC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H19N5O4S2/c1-2-18(31-21-25-16-6-3-4-7-17(16)30-21)19(27)24-14-8-10-15(11-9-14)32(28,29)26-20-22-12-5-13-23-20/h3-13,18H,2H2,1H3,(H,24,27)(H,22,23,26)