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

Systemtic Name: 2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-N-[4-(phenethylsulfamoyl)phenyl]butanamide Openeye Name: 2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-N-[4-(phenethylsulfamoyl)phenyl]butanamide CAS Name: 2-[(2-methyl-6-phenyl-4-pyrimidinyl)thio]-N-[4-(phenethylsulfamoyl)phenyl]butanamide IUPAC Name: 2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanyl-N-[4-(phenethylsulfamoyl)phenyl]butanamide Traditional Name: 2-[(2-methyl-6-phenyl-pyrimidin-4-yl)thio]-N-[4-(phenethylsulfamoyl)phenyl]butyramide Formula: C29H30N4O3S2 MolecularWeight: 546.7035

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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)C4=CC=CC=C4)C

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCC2=CC=CC=C2)SC3=NC(=NC(=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C29H30N4O3S2/c1-3-27(37-28-20-26(31-21(2)32-28)23-12-8-5-9-13-23)29(34)33-24-14-16-25(17-15-24)38(35,36)30-19-18-22-10-6-4-7-11-22/h4-17,20,27,30H,3,18-19H2,1-2H3,(H,33,34)