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

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

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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)SCC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O3S2/c1-15(28-14-16-6-3-2-4-7-16)19(25)23-17-8-10-18(11-9-17)29(26,27)24-20-21-12-5-13-22-20/h2-13,15H,14H2,1H3,(H,23,25)(H,21,22,24)