![3-[2-(3H-imidazol-4-yl)ethyl]-1-[3-[[2-(3H-imidazol-4-yl)ethylthiocarbamoylamino]methyl]benzyl]thiourea](/api/spectrum/5RPNa5cJahG/structure.png?h=300&w=458 "3-[2-(3H-imidazol-4-yl)ethyl]-1-[3-[[2-(3H-imidazol-4-yl)ethylthiocarbamoylamino]methyl]benzyl]thiourea")
| SpectraBase Compound ID | Kk9nd7W4rW6 |
|---|---|
| InChI | InChI=1S/C20H26N8S2/c29-19(23-6-4-17-11-21-13-27-17)25-9-15-2-1-3-16(8-15)10-26-20(30)24-7-5-18-12-22-14-28-18/h1-3,8,11-14H,4-7,9-10H2,(H,21,27)(H,22,28)(H2,23,25,29)(H2,24,26,30) |
| InChIKey | QFFHYICXQGUPGQ-UHFFFAOYSA-N |
| Mol Weight | 442.6 g/mol |
| Molecular Formula | C20H26N8S2 |
| Exact Mass | 442.172185 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5RPNa5cJahG |
|---|---|
| Name | 3-[2-(3H-imidazol-4-yl)ethyl]-1-[3-[[2-(3H-imidazol-4-yl)ethylthiocarbamoylamino]methyl]benzyl]thiourea |
| Compound Number | 19 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C20H26N8S2 |
| InChI | InChI=1S/C20H26N8S2/c29-19(23-6-4-17-11-21-13-27-17)25-9-15-2-1-3-16(8-15)10-26-20(30)24-7-5-18-12-22-14-28-18/h1-3,8,11-14H,4-7,9-10H2,(H,21,27)(H,22,28)(H2,23,25,29)(H2,24,26,30) |
| InChIKey | QFFHYICXQGUPGQ-UHFFFAOYSA-N |
| Literature Reference Author | H.H.ZEPIK,S.A.BENNER |
| Literature Reference Citation | J.ORG.CHEM.,64,8080(1999) |
| Literature Reference DOI | 10.1021/jo982418+ |
| Molecular Weight | 442.600 g/mol |
| Sample ID | 40409 |
| Solvent | DMSO-D6 |