| SpectraBase Spectrum ID |
3RyigmGHEN1 |
| Name |
Methyl N,N'-di(3,4-methylenedioxybenzoyl)imidothiocarbamate |
| Alternate Name(s) |
N,N'-bis[1,3-benzodioxol-5-yl(oxo)methyl]carbamimidothioic acid methyl ester
methyl N,N'-bis(1,3-benzodioxole-5-carbonyl)carbamimidothioate
N-[N-(1,3-benzodioxole-5-carbonyl)-C-methylsulfanyl-carbonimidoyl]-1,3-benzodioxole-5-carboxamide
methyl N,N'-bis(1,3-benzodioxol-5-ylcarbonyl)carbamimidothioate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H14N2O6S |
| InChI |
InChI=1S/C18H14N2O6S/c1-27-18(19-16(21)10-2-4-12-14(6-10)25-8-23-12)20-17(22)11-3-5-13-15(7-11)26-9-24-13/h2-7H,8-9H2,1H3,(H,19,20,21,22) |
| InChIKey |
MTQSWPXGMQBLGH-UHFFFAOYSA-N |
| Molecular Weight |
386.378 g/mol |
| SMILES |
N(\C(=N\C(c1cc2OCOc2cc1)=O)SC)C(c1cc2OCOc2cc1)=O |
| SPLASH |
splash10-0002-0900000000-23028318eafdba7da1c6 |
| Source of Spectrum |
F2-46-271-7a |
| Wiley ID |
1689908 |
