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

Systemtic Name: 3-phenylsulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide Openeye Name: 3-phenylsulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide CAS Name: 3-(phenylthio)-N-[4-(2-pyrimidinylsulfamoyl)phenyl]propanamide IUPAC Name: 3-phenylsulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide Traditional Name: 3-(phenylthio)-N-[4-(2-pyrimidylsulfamoyl)phenyl]propionamide Formula: C19H18N4O3S2 MolecularWeight: 414.50122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O3S2/c24-18(11-14-27-16-5-2-1-3-6-16)22-15-7-9-17(10-8-15)28(25,26)23-19-20-12-4-13-21-19/h1-10,12-13H,11,14H2,(H,22,24)(H,20,21,23)