| SpectraBase Spectrum ID |
GPLih2lHHHu |
| Name |
4-Benzyl-3-methyl-5-oxo-2,3,4,5-tetrahydro[1,4]benzothiazepin-3-(N-cyclohexylcarboxamide) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
408.187149322 u |
| Formula |
C24H28N2O2S |
| InChI |
InChI=1S/C24H28N2O2S/c1-24(23(28)25-19-12-6-3-7-13-19)17-29-21-15-9-8-14-20(21)22(27)26(24)16-18-10-4-2-5-11-18/h2,4-5,8-11,14-15,19H,3,6-7,12-13,16-17H2,1H3,(H,25,28) |
| InChIKey |
ZTJOQFYBQQHQDL-UHFFFAOYSA-N |
| Molecular Weight |
408.560 g/mol |
| SMILES |
C1(N(C(C2=C(SC1)C=CC=C2)=O)CC1=CC=CC=C1)(C(NC1CCCCC1)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.892493 |
![4-Benzyl-3-methyl-5-oxo-2,3,4,5-tetrahydro[1,4]benzothiazepin-3-(N-cyclohexylcarboxamide)](/api/spectrum/GPLih2lHHHu/structure.png?h=300&w=458 "4-Benzyl-3-methyl-5-oxo-2,3,4,5-tetrahydro[1,4]benzothiazepin-3-(N-cyclohexylcarboxamide)")
