5-chloranyl-N-[4-(dicyclohexylsulfamoyl)phenyl]-2-[(2-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-[4-(dicyclohexylsulfamoyl)phenyl]-2-[(2-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-[4-(dicyclohexylsulfamoyl)phenyl]-2-(o-tolylmethylsulfanyl)pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[4-(dicyclohexylsulfamoyl)phenyl]-2-[(2-methylphenyl)methylthio]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[4-(dicyclohexylsulfamoyl)phenyl]-2-[(2-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide Traditional Name: 5-chloro-N-[4-(dicyclohexylsulfamoyl)phenyl]-2-[(2-methylbenzyl)thio]pyrimidine-4-carboxamide Formula: C31H37ClN4O3S2 MolecularWeight: 613.23348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NC=C(C(=N2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N(C4CCCCC4)C5CCCCC5)Cl

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC=C(C(=N2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N(C4CCCCC4)C5CCCCC5)Cl

InChI

InChI=1S/C31H37ClN4O3S2/c1-22-10-8-9-11-23(22)21-40-31-33-20-28(32)29(35-31)30(37)34-24-16-18-27(19-17-24)41(38,39)36(25-12-4-2-5-13-25)26-14-6-3-7-15-26/h8-11,16-20,25-26H,2-7,12-15,21H2,1H3,(H,34,37)