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

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Properties Simple | Detailed

Formula C24H27N3O4S2
IUPAC Name 1-[5-tert-butyl-3-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-2-thienyl]-3-(1-naphthyl)urea
Molecular Mass 485.619 g·mol−1
Heat of Formation -501.1 ± 16.7 kJ·mol−1
Dipole Moment 3.43 ± 1.08 D
Volume 549.96 Å 3
Surface Area 464.63 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy -1.15 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[5-tert-butyl-3-(1,1-diketo1,4-thiazinane-4-carbonyl)-2-thienyl]-3-(1-naphthyl)urea
  • 1-[5-tert-butyl-3-(1,1-dioxo1,4-thiazinane-4-carbonyl)-2-thienyl]-3-(1-naphthyl)urea
  • 1-[5-tert-butyl-3-(1,1-dioxo1,4-thiazinane-4-carbonyl)thiophen-2-yl]-3-naphthalen-1-ylurea
  • 1-[5-tert-butyl-3-[(1,1-dioxo-1,4-thiazinan-4-yl)-oxomethyl]-2-thienyl]-3-(1-naphthyl)urea
  • 1-[5-tert-butyl-3-[(1,1-dioxo-1,4-thiazinan-4-yl)carbonyl]thiophen-2-yl]-3-naphthalen-1-yl-urea
InChIKey MGCVZCZJPOZRQX-UHFFFAOYSA-N
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