ethyl 4-[4-[(4-chloranyl-6-piperidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-[(4-chloranyl-6-piperidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]phenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[[4-chloro-6-(1-piperidyl)pyrimidin-2-yl]sulfanylmethyl]benzoyl]piperazine-1-carboxylate CAS Name: 4-[[4-[[[4-chloro-6-(1-piperidinyl)-2-pyrimidinyl]thio]methyl]phenyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(4-chloro-6-piperidin-1-ylpyrimidin-2-yl)sulfanylmethyl]benzoyl]piperazine-1-carboxylate Traditional Name: 4-[4-[[(4-chloro-6-piperidino-pyrimidin-2-yl)thio]methyl]benzoyl]piperazine-1-carboxylic acid ethyl ester Formula: C24H30ClN5O3S MolecularWeight: 504.0447

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30ClN5O3S/c1-2-33-24(32)30-14-12-29(13-15-30)22(31)19-8-6-18(7-9-19)17-34-23-26-20(25)16-21(27-23)28-10-4-3-5-11-28/h6-9,16H,2-5,10-15,17H2,1H3