2-[(3-methylphenyl)methylsulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]ethanamide

Systemtic Name: 2-[(3-methylphenyl)methylsulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]ethanamide Openeye Name: 2-(m-tolylmethylsulfanyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide CAS Name: 2-[(3-methylphenyl)methylthio]-N-[4-(2-pyrimidinylsulfamoyl)phenyl]acetamide IUPAC Name: 2-[(3-methylphenyl)methylsulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide Traditional Name: 2-[(3-methylbenzyl)thio]-N-[4-(2-pyrimidylsulfamoyl)phenyl]acetamide Formula: C20H20N4O3S2 MolecularWeight: 428.5278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

Isomeric SMILES

CC1=CC(=CC=C1)CSCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

InChI

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