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

Systemtic Name: 3-(phenylmethylsulfanyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide Openeye Name: 3-benzylsulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide CAS Name: 3-(phenylmethylthio)-N-[4-(2-pyrimidinylsulfamoyl)phenyl]propanamide IUPAC Name: 3-benzylsulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide Traditional Name: 3-(benzylthio)-N-[4-(2-pyrimidylsulfamoyl)phenyl]propionamide Formula: C20H20N4O3S2 MolecularWeight: 428.5278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

Isomeric SMILES

C1=CC=C(C=C1)CSCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

InChI

InChI=1S/C20H20N4O3S2/c25-19(11-14-28-15-16-5-2-1-3-6-16)23-17-7-9-18(10-8-17)29(26,27)24-20-21-12-4-13-22-20/h1-10,12-13H,11,14-15H2,(H,23,25)(H,21,22,24)