![3-MORPHOLINO-5-AMINO-1H-1,2,4-TRIAZOL-1-YL)-N-[3-[3-(PIPERIDINOMETHYL)-PHENOXY]-PROPYL]-THIOAMIDE](/api/spectrum/FtcLN9x4N0C/structure.png?h=300&w=458 "3-MORPHOLINO-5-AMINO-1H-1,2,4-TRIAZOL-1-YL)-N-[3-[3-(PIPERIDINOMETHYL)-PHENOXY]-PROPYL]-THIOAMIDE")
| SpectraBase Compound ID | 27gS0koMBuW |
|---|---|
| InChI | InChI=1S/C22H33N7O2S/c23-20-25-21(28-11-14-30-15-12-28)26-29(20)22(32)24-8-5-13-31-19-7-4-6-18(16-19)17-27-9-2-1-3-10-27/h4,6-7,16H,1-3,5,8-15,17H2,(H,24,32)(H2,23,25,26) |
| InChIKey | VGNVEDRFMJPIPA-UHFFFAOYSA-N |
| Mol Weight | 459.6 g/mol |
| Molecular Formula | C22H33N7O2S |
| Exact Mass | 459.241645 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FtcLN9x4N0C |
|---|---|
| Name | 3-MORPHOLINO-5-AMINO-1H-1,2,4-TRIAZOL-1-YL)-N-[3-[3-(PIPERIDINOMETHYL)-PHENOXY]-PROPYL]-THIOAMIDE |
| Compound Number | 3/16 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H33N7O2S |
| InChI | InChI=1S/C22H33N7O2S/c23-20-25-21(28-11-14-30-15-12-28)26-29(20)22(32)24-8-5-13-31-19-7-4-6-18(16-19)17-27-9-2-1-3-10-27/h4,6-7,16H,1-3,5,8-15,17H2,(H,24,32)(H2,23,25,26) |
| InChIKey | VGNVEDRFMJPIPA-UHFFFAOYSA-N |
| Literature Reference Author | J.BARKOCZY,J.REITER |
| Literature Reference Citation | J.HETCYCL.CHEM.,28,1597(1991) |
| Literature Reference DOI | 10.1002/jhet.5570280624 |
| Molecular Weight | 459.610 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCP3726 |