2-(phenylmethylsulfanyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide

Systemtic Name: 2-(phenylmethylsulfanyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide Openeye Name: 2-benzylsulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide CAS Name: 2-(phenylmethylthio)-N-[4-(2-pyrimidinylsulfamoyl)phenyl]butanamide IUPAC Name: 2-benzylsulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide Traditional Name: 2-(benzylthio)-N-[4-(2-pyrimidylsulfamoyl)phenyl]butyramide Formula: C21H22N4O3S2 MolecularWeight: 442.55438

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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)SCC3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2)SCC3=CC=CC=C3

InChI

InChI=1S/C21H22N4O3S2/c1-2-19(29-15-16-7-4-3-5-8-16)20(26)24-17-9-11-18(12-10-17)30(27,28)25-21-22-13-6-14-23-21/h3-14,19H,2,15H2,1H3,(H,24,26)(H,22,23,25)