(2E)-3-(2-Chlorophenyl)-N-(2-{[3-(Dimethylamino)Propyl]Sulfanyl}Phenyl)Acrylamide

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Formula C20H23ClN2OS
IUPAC Name (e)-3-(2-chlorophenyl)-n-[2-[3-(dimethylamino)propylsulfanyl]phenyl]prop-2-enamide
Molecular Mass 374.927 g·mol−1
Heat of Formation 23.5 ± 16.7 kJ·mol−1
Dipole Moment 3.78 ± 1.08 D
Volume 453.76 Å 3
Surface Area 413.21 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy -0.59 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-(2-chlorophenyl)-n-[2-(3-dimethylaminopropylsulfanyl)phenyl]prop-2-enamide
  • (e)-3-(2-chlorophenyl)-n-[2-(3-dimethylaminopropylthio)phenyl]acrylamide
  • (e)-3-(2-chlorophenyl)-n-[2-(3-dimethylaminopropylthio)phenyl]prop-2-enamide
  • 2-chloro-2'-(3-(dimethylamino)propyl)thiocinnamanilide hydrochloride
  • 2-propenamide, 3-(2-chlorophenyl)-n-(2-((3-(dimethylamino)propyl)thio)phenyl)-, monohydrochloride
  • chlorocinanserin
  • sq 10,631
  • sq 10631
CAS Number(s)
  • 20167-05-9
InChIKey MWSQFEYXLRVZAC-OUKQBFOZSA-N
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