![(3-(4-METHYLPIPERAZINO)-5-AMINO-1H-1,2,4-TRIAZOL-1-YL)-N-[3-[3-(PIPERIDINOMETHYL)-PHENOXY]-PROPYL]-THIOAMIDE](/api/spectrum/BSA1ytzlEKZ/structure.png?h=300&w=458 "(3-(4-METHYLPIPERAZINO)-5-AMINO-1H-1,2,4-TRIAZOL-1-YL)-N-[3-[3-(PIPERIDINOMETHYL)-PHENOXY]-PROPYL]-THIOAMIDE")
| SpectraBase Compound ID | HziscGmZWn6 |
|---|---|
| InChI | InChI=1S/C23H36N8OS/c1-28-12-14-30(15-13-28)22-26-21(24)31(27-22)23(33)25-9-6-16-32-20-8-5-7-19(17-20)18-29-10-3-2-4-11-29/h5,7-8,17H,2-4,6,9-16,18H2,1H3,(H,25,33)(H2,24,26,27) |
| InChIKey | MKPOBHVPOHAUMP-UHFFFAOYSA-N |
| Mol Weight | 472.7 g/mol |
| Molecular Formula | C23H36N8OS |
| Exact Mass | 472.273279 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BSA1ytzlEKZ |
|---|---|
| Name | (3-(4-METHYLPIPERAZINO)-5-AMINO-1H-1,2,4-TRIAZOL-1-YL)-N-[3-[3-(PIPERIDINOMETHYL)-PHENOXY]-PROPYL]-THIOAMIDE |
| Compound Number | 3/17 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C23H36N8OS |
| InChI | InChI=1S/C23H36N8OS/c1-28-12-14-30(15-13-28)22-26-21(24)31(27-22)23(33)25-9-6-16-32-20-8-5-7-19(17-20)18-29-10-3-2-4-11-29/h5,7-8,17H,2-4,6,9-16,18H2,1H3,(H,25,33)(H2,24,26,27) |
| InChIKey | MKPOBHVPOHAUMP-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 | 472.652 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCP3727 |