N-[4-({[(4-Tert-Butylbenzyl)Carbamothioyl]Amino}Methyl)-2-Fluorophenyl]Methanesulfonamide

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Properties Simple | Detailed

Formula C20H26FN3O2S2
IUPAC Name 1-[(4-tert-butylphenyl)methyl]-3-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]thiourea
Molecular Mass 423.568 g·mol−1
Heat of Formation -420.6 ± 16.7 kJ·mol−1
Dipole Moment 4.38 ± 1.08 D
Volume 510.18 Å 3
Surface Area 382.34 Å 2
HOMO Energy -8.29 ± 0.55 eV
LUMO Energy -0.92 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(4-tert-butylbenzyl)-3-(3-fluoro-4-methanesulfonamido-benzyl)thiourea
  • 1-[(4-tert-butylphenyl)methyl]-3-[(3-fluoro-4-methanesulfonamido-phenyl)methyl]thiourea
  • 1-[(4-tert-butylphenyl)methyl]-3-[(3-fluoro-4-methanesulfonamidophenyl)methyl]thiourea
  • 1-[(4-tert-butylphenyl)methyl]-3-[[3-fluoro-4-(methylsulfonylamino)phenyl]methyl]thiourea
InChIKey DUHBVFMCIJLUJX-UHFFFAOYSA-N
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