ethyl 4-[3-[[4-chloranyl-6-(4-ethanoyl-4-phenyl-piperidin-1-yl)pyrimidin-2-yl]sulfanylmethyl]phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-[[4-chloranyl-6-(4-ethanoyl-4-phenyl-piperidin-1-yl)pyrimidin-2-yl]sulfanylmethyl]phenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[3-[[4-(4-acetyl-4-phenyl-1-piperidyl)-6-chloro-pyrimidin-2-yl]sulfanylmethyl]benzoyl]piperazine-1-carboxylate CAS Name: 4-[[3-[[[4-(4-acetyl-4-phenyl-1-piperidinyl)-6-chloro-2-pyrimidinyl]thio]methyl]phenyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[[4-(4-acetyl-4-phenylpiperidin-1-yl)-6-chloropyrimidin-2-yl]sulfanylmethyl]benzoyl]piperazine-1-carboxylate Traditional Name: 4-[3-[[[4-(4-acetyl-4-phenyl-piperidino)-6-chloro-pyrimidin-2-yl]thio]methyl]benzoyl]piperazine-1-carboxylic acid ethyl ester Formula: C32H36ClN5O4S MolecularWeight: 622.17734

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=CC=C2)CSC3=NC(=CC(=N3)Cl)N4CCC(CC4)(C5=CC=CC=C5)C(=O)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=CC=C2)CSC3=NC(=CC(=N3)Cl)N4CCC(CC4)(C5=CC=CC=C5)C(=O)C

InChI

InChI=1S/C32H36ClN5O4S/c1-3-42-31(41)38-18-16-37(17-19-38)29(40)25-9-7-8-24(20-25)22-43-30-34-27(33)21-28(35-30)36-14-12-32(13-15-36,23(2)39)26-10-5-4-6-11-26/h4-11,20-21H,3,12-19,22H2,1-2H3