2-(6-methylpyrimidin-4-yl)sulfanyl-N-[4-(phenethylsulfamoyl)phenyl]butanamide

Systemtic Name: 2-(6-methylpyrimidin-4-yl)sulfanyl-N-[4-(phenethylsulfamoyl)phenyl]butanamide Openeye Name: 2-(6-methylpyrimidin-4-yl)sulfanyl-N-[4-(phenethylsulfamoyl)phenyl]butanamide CAS Name: 2-[(6-methyl-4-pyrimidinyl)thio]-N-[4-(phenethylsulfamoyl)phenyl]butanamide IUPAC Name: 2-(6-methylpyrimidin-4-yl)sulfanyl-N-[4-(phenethylsulfamoyl)phenyl]butanamide Traditional Name: 2-[(6-methylpyrimidin-4-yl)thio]-N-[4-(phenethylsulfamoyl)phenyl]butyramide Formula: C23H26N4O3S2 MolecularWeight: 470.60754

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCC2=CC=CC=C2)SC3=NC=NC(=C3)C

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCC2=CC=CC=C2)SC3=NC=NC(=C3)C

InChI

InChI=1S/C23H26N4O3S2/c1-3-21(31-22-15-17(2)24-16-25-22)23(28)27-19-9-11-20(12-10-19)32(29,30)26-14-13-18-7-5-4-6-8-18/h4-12,15-16,21,26H,3,13-14H2,1-2H3,(H,27,28)