| SpectraBase Spectrum ID |
KXiC2AH3HqS |
| Name |
Ethyl 2-{[(benzoylamino)carbothioyl]amino}-6-(2-phenylethyl)-4,5,6,7-tetrahydrothieno[2,3-C]pyridine-3-carboxylate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
493.149384086 u |
| Formula |
C26H27N3O3S2 |
| InChI |
InChI=1S/C26H27N3O3S2/c1-2-32-25(31)22-20-14-16-29(15-13-18-9-5-3-6-10-18)17-21(20)34-24(22)28-26(33)27-23(30)19-11-7-4-8-12-19/h3-12H,2,13-17H2,1H3,(H2,27,28,30,33) |
| InChIKey |
ATTANZDQPXUSJA-UHFFFAOYSA-N |
| Molecular Weight |
493.640 g/mol |
| SMILES |
N(C1=C(C=2CCN(CC2S1)CCC1=CC=CC=C1)C(=O)OCC)C(NC(=O)C=1C=CC=CC1)=S |
![Ethyl 2-{[(benzoylamino)carbothioyl]amino}-6-(2-phenylethyl)-4,5,6,7-tetrahydrothieno[2,3-C]pyridine-3-carboxylate](/api/spectrum/KXiC2AH3HqS/structure.png?h=300&w=458 "Ethyl 2-{[(benzoylamino)carbothioyl]amino}-6-(2-phenylethyl)-4,5,6,7-tetrahydrothieno[2,3-C]pyridine-3-carboxylate")
