2-[4-methyl-6-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-pyrimidin-2-yl]sulfanyl-1-(4-methylphenyl)ethanone

Systemtic Name: 2-[4-methyl-6-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-pyrimidin-2-yl]sulfanyl-1-(4-methylphenyl)ethanone Openeye Name: 2-[4-methyl-6-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-pyrimidin-2-yl]sulfanyl-1-(p-tolyl)ethanone CAS Name: 2-[[4-methyl-6-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-2-pyrimidinyl]thio]-1-(4-methylphenyl)ethanone IUPAC Name: 2-[4-methyl-6-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidin-2-yl]sulfanyl-1-(4-methylphenyl)ethanone Traditional Name: 2-[[4-[(2-keto-2-piperidino-ethyl)thio]-6-methyl-pyrimidin-2-yl]thio]-1-(p-tolyl)ethanone Formula: C21H25N3O2S2 MolecularWeight: 415.5721

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CSC2=NC(=CC(=N2)SCC(=O)N3CCCCC3)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CSC2=NC(=CC(=N2)SCC(=O)N3CCCCC3)C

InChI

InChI=1S/C21H25N3O2S2/c1-15-6-8-17(9-7-15)18(25)13-28-21-22-16(2)12-19(23-21)27-14-20(26)24-10-4-3-5-11-24/h6-9,12H,3-5,10-11,13-14H2,1-2H3