(2E)-3-Phenyl-N-{(1S)-2,2,2-Trichloro-1-[(8-Quinolinylcarbamothioyl)Amino]Ethyl}Acrylamide

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Formula C21H17Cl3N4OS
IUPAC Name (e)-3-phenyl-n-[(1s)-2,2,2-trichloro-1-(8-quinolylcarbamothioylamino)ethyl]prop-2-enamide
Molecular Mass 479.810 g·mol−1
Heat of Formation 174.3 ± 16.7 kJ·mol−1
Dipole Moment 9.59 ± 1.08 D
Volume 512.0 Å 3
Surface Area 442.41 Å 2
HOMO Energy -8.38 ± 0.55 eV
LUMO Energy -1.25 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-phenyl-n-[(1s)-2,2,2-trichloro-1-(8-quinolylcarbamothioylamino)ethyl]prop-2-enamide
  • (e)-3-phenyl-n-[(1s)-2,2,2-trichloro-1-(8-quinolylthiocarbamoylamino)ethyl]acrylamide
  • (e)-3-phenyl-n-[(1s)-2,2,2-trichloro-1-(quinolin-8-ylcarbamothioylamino)ethyl]prop-2-enamide
  • (e)-3-phenyl-n-[(1s)-2,2,2-trichloro-1-[[(8-quinolylamino)-thioxomethyl]amino]ethyl]prop-2-enamide
InChIKey LCOIAYJMPKXARU-CVTTXWKISA-N
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