1-[4-[4-[(4-chloranyl-6-piperidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]phenyl]carbonylpiperazin-1-yl]ethanone

Systemtic Name: 1-[4-[4-[(4-chloranyl-6-piperidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]phenyl]carbonylpiperazin-1-yl]ethanone Openeye Name: 1-[4-[4-[[4-chloro-6-(1-piperidyl)pyrimidin-2-yl]sulfanylmethyl]benzoyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[[4-[[[4-chloro-6-(1-piperidinyl)-2-pyrimidinyl]thio]methyl]phenyl]-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[4-[(4-chloro-6-piperidin-1-ylpyrimidin-2-yl)sulfanylmethyl]benzoyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[4-[[(4-chloro-6-piperidino-pyrimidin-2-yl)thio]methyl]benzoyl]piperazino]ethanone Formula: C23H28ClN5O2S MolecularWeight: 474.01872

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)CSC3=NC(=CC(=N3)Cl)N4CCCCC4

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)CSC3=NC(=CC(=N3)Cl)N4CCCCC4

InChI

InChI=1S/C23H28ClN5O2S/c1-17(30)27-11-13-29(14-12-27)22(31)19-7-5-18(6-8-19)16-32-23-25-20(24)15-21(26-23)28-9-3-2-4-10-28/h5-8,15H,2-4,9-14,16H2,1H3