3-chloranyl-4-fluoranyl-N-[1-[(E)-3-(4-piperidin-4-ylsulfanylphenyl)prop-2-enyl]piperidin-4-yl]benzamide

Systemtic Name: 3-chloranyl-4-fluoranyl-N-[1-[(E)-3-(4-piperidin-4-ylsulfanylphenyl)prop-2-enyl]piperidin-4-yl]benzamide Openeye Name: 3-chloro-4-fluoro-N-[1-[(E)-3-[4-(4-piperidylsulfanyl)phenyl]allyl]-4-piperidyl]benzamide CAS Name: 3-chloro-4-fluoro-N-[1-[(E)-3-[4-(4-piperidinylthio)phenyl]prop-2-enyl]-4-piperidinyl]benzamide IUPAC Name: 3-chloro-4-fluoro-N-[1-[(E)-3-(4-piperidin-4-ylsulfanylphenyl)prop-2-enyl]piperidin-4-yl]benzamide Traditional Name: 3-chloro-4-fluoro-N-[1-[(E)-3-[4-(4-piperidylthio)phenyl]allyl]-4-piperidyl]benzamide Formula: C26H31ClFN3OS MolecularWeight: 488.060243

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1SC2=CC=C(C=C2)C=CCN3CCC(CC3)NC(=O)C4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1CNCCC1SC2=CC=C(C=C2)/C=C/CN3CCC(CC3)NC(=O)C4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C26H31ClFN3OS/c27-24-18-20(5-8-25(24)28)26(32)30-21-11-16-31(17-12-21)15-1-2-19-3-6-22(7-4-19)33-23-9-13-29-14-10-23/h1-8,18,21,23,29H,9-17H2,(H,30,32)/b2-1+