4-[(4-methylphenyl)sulfanylmethyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide

Systemtic Name: 4-[(4-methylphenyl)sulfanylmethyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide Openeye Name: 4-(p-tolylsulfanylmethyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide CAS Name: 4-[[(4-methylphenyl)thio]methyl]-N-[4-(2-pyrimidinylsulfamoyl)phenyl]benzamide IUPAC Name: 4-[(4-methylphenyl)sulfanylmethyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide Traditional Name: 4-[(p-tolylthio)methyl]-N-[4-(2-pyrimidylsulfamoyl)phenyl]benzamide Formula: C25H22N4O3S2 MolecularWeight: 490.59718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4

InChI

InChI=1S/C25H22N4O3S2/c1-18-3-11-22(12-4-18)33-17-19-5-7-20(8-6-19)24(30)28-21-9-13-23(14-10-21)34(31,32)29-25-26-15-2-16-27-25/h2-16H,17H2,1H3,(H,28,30)(H,26,27,29)