2-[(Tert-Butylcarbamoyl)Amino]-N-(2-Chloro-6-Methylphenyl)-1,3-Benzothiazole-6-Carboxamide

Molecule SVG Image

Properties Simple | Detailed

Formula C20H21ClN4O2S
IUPAC Name 2-(tert-butylcarbamoylamino)-n-(2-chloro-6-methyl-phenyl)-1,3-benzothiazole-6-carboxamide
Molecular Mass 416.924 g·mol−1
Heat of Formation -155.6 ± 16.7 kJ·mol−1
Dipole Moment 8.87 ± 1.08 D
Volume 476.81 Å 3
Surface Area 421.19 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy -1.17 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(tert-butylcarbamoylamino)-n-(2-chloro-6-methyl-phenyl)-1,3-benzothiazole-6-carboxamide
  • 2-[[(tert-butylamino)-oxomethyl]amino]-n-(2-chloro-6-methylphenyl)-1,3-benzothiazole-6-carboxamide
InChIKey FIVXJBFMVDAATB-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C Cl H O N S