SpectraBase Spectrum ID |
Jd5yZbyQGPW |
Name |
4-(1,3-Benzothiazol-2-yl)-N-[[2-[(2-chlorophenyl)methoxy]-3-ethoxy-phenyl]methyl]aniline |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
500.132526925 u |
Formula |
C29H25ClN2O2S |
InChI |
InChI=1S/C29H25ClN2O2S/c1-2-33-26-12-7-9-21(28(26)34-19-22-8-3-4-10-24(22)30)18-31-23-16-14-20(15-17-23)29-32-25-11-5-6-13-27(25)35-29/h3-17,31H,2,18-19H2,1H3 |
InChIKey |
LNYAPKWIMHSPCZ-UHFFFAOYSA-N |
Molecular Weight |
501.044 g/mol |
SMILES |
C1(=NC=2C=CC=CC2S1)C=1C=CC(NCC2=C(OCC=3C(Cl)=CC=CC3)C(OCC)=CC=C2)=CC1 |