2-[4-chloranyl-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-2-yl]sulfanyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone

Systemtic Name: 2-[4-chloranyl-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-2-yl]sulfanyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone Openeye Name: 2-[4-(4-benzyl-1-piperidyl)-6-chloro-pyrimidin-2-yl]sulfanyl-1-[4-[(E)-cinnamyl]piperazin-1-yl]ethanone CAS Name: 2-[[4-chloro-6-[4-(phenylmethyl)-1-piperidinyl]-2-pyrimidinyl]thio]-1-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]ethanone IUPAC Name: 2-[4-(4-benzylpiperidin-1-yl)-6-chloropyrimidin-2-yl]sulfanyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone Traditional Name: 2-[[4-(4-benzylpiperidino)-6-chloro-pyrimidin-2-yl]thio]-1-[4-[(E)-cinnamyl]piperazino]ethanone Formula: C31H36ClN5OS MolecularWeight: 562.16844

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=CC(=NC(=N3)SCC(=O)N4CCN(CC4)CC=CC5=CC=CC=C5)Cl

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=CC(=NC(=N3)SCC(=O)N4CCN(CC4)C/C=C/C5=CC=CC=C5)Cl

InChI

InChI=1S/C31H36ClN5OS/c32-28-23-29(36-16-13-27(14-17-36)22-26-10-5-2-6-11-26)34-31(33-28)39-24-30(38)37-20-18-35(19-21-37)15-7-12-25-8-3-1-4-9-25/h1-12,23,27H,13-22,24H2/b12-7+