N-{[2-(1-Benzyl-4-Piperidinyl)Ethyl]Carbamothioyl}-1,3-Benzodioxole-5-Carboxamide

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Properties Simple | Detailed

Formula C23H27N3O3S
IUPAC Name n-[2-(1-benzyl-4-piperidyl)ethylcarbamothioyl]-1,3-benzodioxole-5-carboxamide
Molecular Mass 425.544 g·mol−1
Heat of Formation -227.5 ± 16.7 kJ·mol−1
Dipole Moment 5.66 ± 1.08 D
Volume 509.14 Å 3
Surface Area 441.31 Å 2
HOMO Energy -8.55 ± 0.55 eV
LUMO Energy -1.09 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3-benzodioxole-5-carboxamide, n-(((2-(1-(phenylmethyl)-4-piperdinyl)ethyl)amino)thioxomethyl)-
  • 1-(3,4-(methylenedioxy)benzoyl)-3-(2-(1-benzyl-4-piperidinyl)ethyl)thiourea
  • 1-mdb-3-bpet
  • n-(((2-(1-(phenylmethyl)-4-piperdinyl)ethyl)amino)thioxomethyl)-1,3-benzodioxole-5-carboxamide
  • n-[2-[1-(benzyl)-4-piperidyl]ethylthiocarbamoyl]-1,3-benzodioxole-5-carboxamide
  • n-[2-[1-(phenylmethyl)-4-piperidyl]ethylcarbamothioyl]-1,3-benzodioxole-5-carboxamide
  • n-[2-[1-(phenylmethyl)piperidin-4-yl]ethylcarbamothioyl]-1,3-benzodioxole-5-carboxamide
  • n-[[2-[1-(phenylmethyl)-4-piperidinyl]ethylamino]-thioxomethyl]-1,3-benzodioxole-5-carboxamide
CAS Number(s)
  • 145232-89-9
InChIKey OPLHGJDLBDRUTM-UHFFFAOYSA-N
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