SpectraBase Compound ID | Jth43EYIngM |
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InChI | InChI=1S/C25H25ClN4S/c1-18-22(23-15-20(26)10-11-24(23)29-18)12-14-30(17-21-9-5-6-13-27-21)25(31)28-16-19-7-3-2-4-8-19/h2-11,13,15,29H,12,14,16-17H2,1H3,(H,28,31) |
InChIKey | PJIKWPUCVIUNLP-UHFFFAOYSA-N |
Mol Weight | 449.02 g/mol |
Molecular Formula | C25H25ClN4S |
Exact Mass | 448.148846 g/mol |
SpectraBase Spectrum ID | F2VvdKqdf1S |
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Name | N'-benzyl-N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-N-(2-pyridinylmethyl)thiourea |
Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 448.148845695 u |
Formula | C25H25ClN4S |
InChI | InChI=1S/C25H25ClN4S/c1-18-22(23-15-20(26)10-11-24(23)29-18)12-14-30(17-21-9-5-6-13-27-21)25(31)28-16-19-7-3-2-4-8-19/h2-11,13,15,29H,12,14,16-17H2,1H3,(H,28,31) |
InChIKey | PJIKWPUCVIUNLP-UHFFFAOYSA-N |
Molecular Weight | 449.016 g/mol |
NMR Offset | 18.0068 |
NMR Spectrometer Frequency | 500.134 |
Observed nucleus | 1H |
Sample State | Soluted |
Sample_ID | 1H_CB_2020_8680 |
Solvent | DMSO-d6 |
Source | Vendor ID: NMR/13219984 |