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

Systemtic Name: 2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-N-[4-(phenethylsulfamoyl)phenyl]propanamide Openeye Name: 2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-N-[4-(phenethylsulfamoyl)phenyl]propanamide CAS Name: 2-[(2-methyl-6-phenyl-4-pyrimidinyl)thio]-N-[4-(phenethylsulfamoyl)phenyl]propanamide IUPAC Name: 2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanyl-N-[4-(phenethylsulfamoyl)phenyl]propanamide Traditional Name: 2-[(2-methyl-6-phenyl-pyrimidin-4-yl)thio]-N-[4-(phenethylsulfamoyl)phenyl]propionamide Formula: C28H28N4O3S2 MolecularWeight: 532.67692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)SC(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NCCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=NC(=CC(=N1)SC(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NCCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H28N4O3S2/c1-20(36-27-19-26(30-21(2)31-27)23-11-7-4-8-12-23)28(33)32-24-13-15-25(16-14-24)37(34,35)29-18-17-22-9-5-3-6-10-22/h3-16,19-20,29H,17-18H2,1-2H3,(H,32,33)