![3-(2-dimethylaminoethyl)-1-[3-[(2-dimethylaminoethylthiocarbamoylamino)methyl]benzyl]thiourea](/api/spectrum/8N6Bbs63RH2/structure.png?h=300&w=458 "3-(2-dimethylaminoethyl)-1-[3-[(2-dimethylaminoethylthiocarbamoylamino)methyl]benzyl]thiourea")
| SpectraBase Compound ID | 4fW6Yw3BVZW |
|---|---|
| InChI | InChI=1S/C18H32N6S2/c1-23(2)10-8-19-17(25)21-13-15-6-5-7-16(12-15)14-22-18(26)20-9-11-24(3)4/h5-7,12H,8-11,13-14H2,1-4H3,(H2,19,21,25)(H2,20,22,26) |
| InChIKey | QLSFRRMBCYKPGU-UHFFFAOYSA-N |
| Mol Weight | 396.6 g/mol |
| Molecular Formula | C18H32N6S2 |
| Exact Mass | 396.212987 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8N6Bbs63RH2 |
|---|---|
| Name | 3-(2-dimethylaminoethyl)-1-[3-[(2-dimethylaminoethylthiocarbamoylamino)methyl]benzyl]thiourea |
| Compound Number | 32 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C18H32N6S2 |
| InChI | InChI=1S/C18H32N6S2/c1-23(2)10-8-19-17(25)21-13-15-6-5-7-16(12-15)14-22-18(26)20-9-11-24(3)4/h5-7,12H,8-11,13-14H2,1-4H3,(H2,19,21,25)(H2,20,22,26) |
| InChIKey | QLSFRRMBCYKPGU-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 | 396.612 g/mol |
| Sample ID | 40417 |
| Solvent | DMSO-D6 |