N-(Ethylcarbamoyl)-3-{4-[(5-Formyl-4-Methoxy-2-Phenyl-1H-Imidazol-1-Yl)Methyl]Phenyl}-5-Isobutyl-2-Thiophenesulfonamide

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Properties Simple | Detailed

Formula C29H32N4O5S2
IUPAC Name 1-ethyl-3-[[3-[4-[(5-formyl-4-methoxy-2-phenyl-imidazol-1-ium-2-ylium-1-yl)methyl]phenyl]-5-isobutyl-2-thienyl]sulfonyl]urea
Molecular Mass 580.718 g·mol−1
Heat of Formation -547.7 ± 16.7 kJ·mol−1
Dipole Moment 6.64 ± 1.08 D
Volume 678.58 Å 3
Surface Area 476.59 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy -0.89 ± eV
Point Group Symmetry C1
Synonyms
  • 3-ethyl-1-[3-[4-[(5-formyl-4-methoxy-2-phenylimidazol-1-yl)methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]sulfonylurea
  • 3-ethyl-1-[3-[4-[(5-methanoyl-4-methoxy-2-phenyl-imidazol-1-yl)methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]sulfonyl-urea
  • 3-ethyl-1-[[3-[4-[(5-formyl-4-methoxy-2-phenyl-1-imidazolyl)methyl]phenyl]-5-isobutyl-2-thienyl]sulfonyl]urea
  • 3-ethyl-1-[[3-[4-[(5-formyl-4-methoxy-2-phenyl-imidazol-1-yl)methyl]phenyl]-5-isobutyl-2-thienyl]sulfonyl]urea
InChIKey QTOZBSNPDCWHPV-UHFFFAOYSA-N
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