N-[(4-{[5-(Dimethylamino)Pentanoyl]Amino}Phenyl)Carbamothioyl]-4-(2-Methyl-2-Propanyl)Benzamide

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Formula C25H34N4O2S
IUPAC Name 4-tert-butyl-n-[[4-[5-(dimethylamino)pentanoylamino]phenyl]carbamothioyl]benzamide
Molecular Mass 454.628 g·mol−1
Heat of Formation -240.0 ± 16.7 kJ·mol−1
Dipole Moment 2.71 ± 1.08 D
Volume 572.31 Å 3
Surface Area 515.38 Å 2
HOMO Energy -8.31 ± 0.55 eV
LUMO Energy -0.93 ± eV
Point Group Symmetry C1
Synonyms
  • 4-tert-butyl-n-[[4-(5-dimethylaminopentanoylamino)phenyl]carbamothioyl]benzamide
  • 4-tert-butyl-n-[[4-(5-dimethylaminopentanoylamino)phenyl]thiocarbamoyl]benzamide
  • 4-tert-butyl-n-[[[4-[(5-dimethylamino-1-oxopentyl)amino]phenyl]amino]-thioxomethyl]benzamide
InChIKey BVJSXSQRIUSRCO-UHFFFAOYSA-N
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