N-[(4-{[(Z)-(7-Oxo-6,7-Dihydro-8H-[1,3]Thiazolo[5,4-E]Indol-8-Ylidene)Methyl]Amino}Phenyl)Sulfonyl]Acetamide

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Properties Simple | Detailed

Formula C18H14N4O4S2
IUPAC Name n-[4-[[(z)-(7-oxo-6h-pyrrolo[2,3-g][1,3]benzothiazol-8-ylidene)methyl]amino]phenyl]sulfonylacetamide
Molecular Mass 414.458 g·mol−1
Heat of Formation -336.4 ± 16.7 kJ·mol−1
Dipole Moment 3.95 ± 1.08 D
Volume 435.91 Å 3
Surface Area 386.7 Å 2
HOMO Energy -8.56 ± 0.55 eV
LUMO Energy -1.49 ± eV
Point Group Symmetry C1
Synonyms
  • n-[4-[[(z)-(7-keto-6h-pyrrolo[5,4-g][1,3]benzothiazol-8-ylidene)methyl]amino]phenyl]sulfonylacetamide
  • n-[4-[[(z)-(7-oxo-6h-pyrrolo[5,4-g][1,3]benzothiazol-8-ylidene)methyl]amino]phenyl]sulfonylethanamide
  • oxindole-based inhibitor 97
InChIKey HSTYENZAXRTDNP-JYRVWZFOSA-N
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