N-(4-bromanyl-2-methyl-phenyl)-2-[methyl(2-pyrimidin-2-ylsulfanylethanoyl)amino]ethanamide

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-[methyl(2-pyrimidin-2-ylsulfanylethanoyl)amino]ethanamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-2-[methyl-(2-pyrimidin-2-ylsulfanylacetyl)amino]acetamide CAS Name: N-(4-bromo-2-methylphenyl)-2-[methyl-[1-oxo-2-(2-pyrimidinylthio)ethyl]amino]acetamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-[methyl-(2-pyrimidin-2-ylsulfanylacetyl)amino]acetamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-2-[methyl-[2-(2-pyrimidylthio)acetyl]amino]acetamide Formula: C16H17BrN4O2S MolecularWeight: 409.30078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17BrN4O2S/c1-11-8-12(17)4-5-13(11)20-14(22)9-21(2)15(23)10-24-16-18-6-3-7-19-16/h3-8H,9-10H2,1-2H3,(H,20,22)