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

Systemtic Name: N-[4-(cyclohexylsulfamoyl)phenyl]-2-(6-methylpyrimidin-4-yl)sulfanyl-butanamide Openeye Name: N-[4-(cyclohexylsulfamoyl)phenyl]-2-(6-methylpyrimidin-4-yl)sulfanyl-butanamide CAS Name: N-[4-(cyclohexylsulfamoyl)phenyl]-2-[(6-methyl-4-pyrimidinyl)thio]butanamide IUPAC Name: N-[4-(cyclohexylsulfamoyl)phenyl]-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide Traditional Name: N-[4-(cyclohexylsulfamoyl)phenyl]-2-[(6-methylpyrimidin-4-yl)thio]butyramide Formula: C21H28N4O3S2 MolecularWeight: 448.60202

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2CCCCC2)SC3=NC=NC(=C3)C

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2CCCCC2)SC3=NC=NC(=C3)C

InChI

InChI=1S/C21H28N4O3S2/c1-3-19(29-20-13-15(2)22-14-23-20)21(26)24-16-9-11-18(12-10-16)30(27,28)25-17-7-5-4-6-8-17/h9-14,17,19,25H,3-8H2,1-2H3,(H,24,26)