| SpectraBase Spectrum ID |
7CPgrd4NfAC |
| Name |
2-{3-[2-(Ethylsulfanyl)-1H-benzimidazol-1-yl]-3-oxopropyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
429.114712655 u |
| Formula |
C24H19N3O3S |
| InChI |
InChI=1S/C24H19N3O3S/c1-2-31-24-25-18-11-3-4-12-19(18)27(24)20(28)13-14-26-22(29)16-9-5-7-15-8-6-10-17(21(15)16)23(26)30/h3-12H,2,13-14H2,1H3 |
| InChIKey |
VXDVXDCJYTXZOQ-UHFFFAOYSA-N |
| Molecular Weight |
429.494 g/mol |
| SMILES |
C=1C=CC=2N(C(=NC2C1)SCC)C(CCN1C(C2=CC=CC3=C2C(C1=O)=CC=C3)=O)=O |
![2-{3-[2-(ethylsulfanyl)-1H-benzimidazol-1-yl]-3-oxopropyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione](/api/spectrum/7CPgrd4NfAC/structure.png?h=300&w=458 "2-{3-[2-(ethylsulfanyl)-1H-benzimidazol-1-yl]-3-oxopropyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione")
