N-(4-bromanyl-2-methyl-phenyl)-2-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethanoylamino]ethanamide

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethanoylamino]ethanamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-2-[[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylacetyl]amino]acetamide CAS Name: N-(4-bromo-2-methylphenyl)-2-[[2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]acetamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-[[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]amino]acetamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-2-[[2-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]acetyl]amino]acetamide Formula: C22H21BrN4O2S MolecularWeight: 485.39674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)CSC2=NC(=CC(=N2)C)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)CSC2=NC(=CC(=N2)C)C3=CC=CC=C3

InChI

InChI=1S/C22H21BrN4O2S/c1-14-10-17(23)8-9-18(14)26-20(28)12-24-21(29)13-30-22-25-15(2)11-19(27-22)16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3,(H,24,29)(H,26,28)