| SpectraBase Spectrum ID |
KhbNzC0gGHM |
| Name |
2-hydroxy-N-phenyl-2-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-yl)propanethioamide |
| Alternate Name(s) |
2-hydroxy-N-phenyl-2-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-yl)thiopropionamide
2-hydroxy-N-phenyl-2-(4,5,6,7-tetrahydro-1H-1,3-diazepin-3-ium-2-yl)propanimidothioate
2-hydroxy-N-phenyl-2-(4,5,6,7-tetrahydro-1H-1,3-diazepin-3-ium-2-yl)thiopropionimidate
2-oxidanyl-N-phenyl-2-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-yl)propanethioamide
2-oxidanyl-N-phenyl-2-(4,5,6,7-tetrahydro-1H-1,3-diazepin-3-ium-2-yl)propanimidothioate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H19N3OS |
| InChI |
InChI=1S/C14H19N3OS/c1-14(18,12-15-9-5-6-10-16-12)13(19)17-11-7-3-2-4-8-11/h2-4,7-8,18H,5-6,9-10H2,1H3,(H,15,16)(H,17,19) |
| InChIKey |
OKPBXZOPHCSKIT-UHFFFAOYSA-N |
| Molecular Weight |
277.386 g/mol |
| SMILES |
N1CCCCN[C+]1C(\C(=N\c1ccccc1)[S-])(O)C |
| SPLASH |
splash10-0006-1900000000-abee61457fa4f27d82d0 |
| Source of Spectrum |
J-67-4529-4 |
| Wiley ID |
1570213 |
