| SpectraBase Spectrum ID |
7ROVV9gia5p |
| Name |
(1S,9S)-N-(2H-1,3-benzodioxol-5-yl)-6-oxo-7,11-diazatricyclo[7.3.1.0(2,7)]trideca-2,4-diene-11-carbothioamide |
| Alternate Name(s) |
7,11-Diazatricyclo[7.3.1.0(2,7)]trideca-2,4-diene-11-carbothioamide, N-(1,3-benzodioxol-5-yl)-6-oxo- |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H19N3O3S |
| InChI |
InChI=1S/C19H19N3O3S/c23-18-3-1-2-15-13-6-12(9-22(15)18)8-21(10-13)19(26)20-14-4-5-16-17(7-14)25-11-24-16/h1-5,7,12-13H,6,8-11H2,(H,20,26)/t12-,13+/m0/s1 |
| InChIKey |
YWZRZBRWSJYIKP-QWHCGFSZSA-N |
| Molecular Weight |
369.439 g/mol |
| SMILES |
N(C(=S)N1C[C@@]2(C3=CC=CC(=O)N3C[C@@](C2)(C1)[H])[H])c1ccc2c(c1)OCO2 |
| SPLASH |
splash10-004i-4900000000-1a9fe778589a10331125 |
| Source of Spectrum |
IY-2-4974-3 |
| Wiley ID |
1657726 |
![(1S,9S)-N-(2H-1,3-benzodioxol-5-yl)-6-oxo-7,11-diazatricyclo[7.3.1.0(2,7)]trideca-2,4-diene-11-carbothioamide](/api/spectrum/7ROVV9gia5p/structure.png?h=300&w=458 "(1S,9S)-N-(2H-1,3-benzodioxol-5-yl)-6-oxo-7,11-diazatricyclo[7.3.1.0(2,7)]trideca-2,4-diene-11-carbothioamide")
