1-(4-fluorophenyl)carbonyl-N-(2-prop-2-enylsulfanylphenyl)piperidine-4-carboxamide

Systemtic Name: 1-(4-fluorophenyl)carbonyl-N-(2-prop-2-enylsulfanylphenyl)piperidine-4-carboxamide Openeye Name: N-(2-allylsulfanylphenyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide CAS Name: 1-[(4-fluorophenyl)-oxomethyl]-N-[2-(prop-2-enylthio)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-(4-fluorobenzoyl)-N-(2-prop-2-enylsulfanylphenyl)piperidine-4-carboxamide Traditional Name: N-[2-(allylthio)phenyl]-1-(4-fluorobenzoyl)isonipecotamide Formula: C22H23FN2O2S MolecularWeight: 398.493623

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=CC=CC=C1NC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C=CCSC1=CC=CC=C1NC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H23FN2O2S/c1-2-15-28-20-6-4-3-5-19(20)24-21(26)16-11-13-25(14-12-16)22(27)17-7-9-18(23)10-8-17/h2-10,16H,1,11-15H2,(H,24,26)