3-{3-[4-(1-Methyl-1H-Indol-3-Yl)-2,5-Dioxo-2,5-Dihydro-1H-Pyrrol-3-Yl]-1H-Indol-1-Yl}Propyl Carbamimidothioate

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Properties Simple | Detailed

Formula C25H23N5O2S
IUPAC Name 2-[3-[3-[4-(1-methylindol-3-yl)-2,5-dioxo-pyrrol-3-yl]indol-1-yl]propyl]isothiourea
Molecular Mass 457.547 g·mol−1
Heat of Formation 158.2 ± 16.7 kJ·mol−1
Dipole Moment 9.68 ± 1.08 D
Volume 546.39 Å 3
Surface Area 410.09 Å 2
HOMO Energy -8.34 ± 0.55 eV
LUMO Energy 2.08 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[3-[4-(1-methylindol-3-yl)-2,5-dioxo-pyrrol-3-yl]indol-1-yl]propylsulfanylformamidine
  • 3-[3-[4-(1-methylindol-3-yl)-2,5-dioxo-pyrrol-3-yl]indol-1-yl]propylsulfanylmethanimidamide
  • 3-{3-[4-(1-methyl-1h-indol-3-yl)-2,5-dioxo-2,5-dihydro-1h-pyrrol-3-yl]-1h-indol-1-yl}propyl imidothiocarbamate
  • [3-[3-[2,5-diketo-4-(1-methylindol-3-yl)-3-pyrrolin-3-yl]indol-1-yl]propylthio]formamidine
  • [3-[3-[4-(1-methyl-3-indolyl)-2,5-dioxo-3-pyrrolyl]-1-indolyl]propylthio]formamidine
  • bim-9
  • bio2_000369
  • bio2_000849
  • biomolki2_000041
  • biomolki_000033
  • carbamimidothioic acid, 3-(3-(2,5-dihydro-4-(1-methyl-1h-indol-3-yl)-2,5-dioxo-1h-pyrrol-3-yl)-1h-indol-1-yl)propyl ester
  • carbamimidothioic acid, 3-[3-[2,5-dihydro-4-(1-methyl-1h-indol-3-yl)-2,5-dioxo-1h-pyrrol-3-yl]-1h-indol-1-yl]propyl ester & z-100
  • drn
  • ro 31 8220
  • ro 31-8220
  • ro 318220 & z-100
CAS Number(s)
  • 125314-64-9
InChIKey DSXXEELGXBCYNQ-UHFFFAOYSA-N
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