N-(3-Chloro-4-{[(5-Chloro-2,4-Dimethoxyphenyl)Carbamothioyl]Amino}Phenyl)-2-Fluorobenzamide

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Properties Simple | Detailed

Formula C22H18Cl2FN3O3S
IUPAC Name n-[3-chloro-4-[(5-chloro-2,4-dimethoxy-phenyl)carbamothioylamino]phenyl]-2-fluoro-benzamide
Molecular Mass 494.366 g·mol−1
Heat of Formation -372.4 ± 16.7 kJ·mol−1
Dipole Moment 12.96 ± 1.08 D
Volume 528.98 Å 3
Surface Area 443.84 Å 2
HOMO Energy -8.22 ± 0.55 eV
LUMO Energy 1.85 ± eV
Point Group Symmetry C1
Synonyms
  • benzamide, n-(3-chloro-4-((((5-chloro-2,4-dimethoxyphenyl)amino)thioxomethyl)amino)phenyl)-2-fluoro-
  • benzamide, n-[3-chloro-4-[[[(5-chloro-2,4-dimethoxyphenyl)amino]thioxomethyl]amino]phenyl]-2-fluoro-
  • n-[3-chloro-4-[(5-chloro-2,4-dimethoxy-phenyl)carbamothioylamino]phenyl]-2-fluoro-benzamide
  • n-[3-chloro-4-[(5-chloro-2,4-dimethoxy-phenyl)thiocarbamoylamino]phenyl]-2-fluoro-benzamide
  • n-[3-chloro-4-[(5-chloro-2,4-dimethoxyphenyl)carbamothioylamino]phenyl]-2-fluorobenzamide
  • n-[3-chloro-4-[[[(5-chloro-2,4-dimethoxyphenyl)amino]-thioxomethyl]amino]phenyl]-2-fluorobenzamide
  • way-150138
CAS Number(s)
  • 273388-09-3
InChIKey NPZHFWHOVNAVCF-UHFFFAOYSA-N
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