1-[2-(1,1-Dioxido-4-Thiomorpholinyl)-5-(2-Methyl-2-Propanyl)-3-Thienyl]-3-(1-Naphthyl)Urea

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Formula C23H27N3O3S2
IUPAC Name 1-[5-tert-butyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-thienyl]-3-(1-naphthyl)urea
Molecular Mass 457.609 g·mol−1
Heat of Formation -301.1 ± 16.7 kJ·mol−1
Dipole Moment 3.36 ± 1.08 D
Volume 526.18 Å 3
Surface Area 443.26 Å 2
HOMO Energy -8.55 ± 0.55 eV
LUMO Energy 2.26 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[5-tert-butyl-2-(1,1-diketo-1,4-thiazinan-4-yl)-3-thienyl]-3-(1-naphthyl)urea
  • 1-[5-tert-butyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)thiophen-3-yl]-3-naphthalen-1-yl-urea
  • 1-[5-tert-butyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)thiophen-3-yl]-3-naphthalen-1-ylurea
InChIKey VRPGNWGNMYKKMF-UHFFFAOYSA-N
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