N-[4-[2-(2,6-dimethylpyrimidin-4-yl)sulfanylethanoyl]phenyl]-3-methyl-butanamide

Systemtic Name: N-[4-[2-(2,6-dimethylpyrimidin-4-yl)sulfanylethanoyl]phenyl]-3-methyl-butanamide Openeye Name: N-[4-[2-(2,6-dimethylpyrimidin-4-yl)sulfanylacetyl]phenyl]-3-methyl-butanamide CAS Name: N-[4-[2-[(2,6-dimethyl-4-pyrimidinyl)thio]-1-oxoethyl]phenyl]-3-methylbutanamide IUPAC Name: N-[4-[2-(2,6-dimethylpyrimidin-4-yl)sulfanylacetyl]phenyl]-3-methylbutanamide Traditional Name: N-[4-[2-[(2,6-dimethylpyrimidin-4-yl)thio]acetyl]phenyl]-3-methyl-butyramide Formula: C19H23N3O2S MolecularWeight: 357.46982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C)SCC(=O)C2=CC=C(C=C2)NC(=O)CC(C)C

Isomeric SMILES

CC1=CC(=NC(=N1)C)SCC(=O)C2=CC=C(C=C2)NC(=O)CC(C)C

InChI

InChI=1S/C19H23N3O2S/c1-12(2)9-18(24)22-16-7-5-15(6-8-16)17(23)11-25-19-10-13(3)20-14(4)21-19/h5-8,10,12H,9,11H2,1-4H3,(H,22,24)