1-[2-(2,5-dimethylphenyl)sulfanylethanoyl]piperidin-4-one

Systemtic Name: 1-[2-(2,5-dimethylphenyl)sulfanylethanoyl]piperidin-4-one Openeye Name: 1-[2-(2,5-dimethylphenyl)sulfanylacetyl]piperidin-4-one CAS Name: 1-[2-[(2,5-dimethylphenyl)thio]-1-oxoethyl]-4-piperidinone IUPAC Name: 1-[2-(2,5-dimethylphenyl)sulfanylacetyl]piperidin-4-one Traditional Name: 1-[2-[(2,5-dimethylphenyl)thio]acetyl]-4-piperidone Formula: C15H19NO2S MolecularWeight: 277.38186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCC(=O)N2CCC(=O)CC2

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCC(=O)N2CCC(=O)CC2

InChI

InChI=1S/C15H19NO2S/c1-11-3-4-12(2)14(9-11)19-10-15(18)16-7-5-13(17)6-8-16/h3-4,9H,5-8,10H2,1-2H3