| SpectraBase Spectrum ID |
D4CpFAv1frM |
| Name |
Methyl 2-({[(4-pyridinylmethyl)amino]carbothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
361.091869210 u |
| Formula |
C17H19N3O2S2 |
| InChI |
InChI=1S/C17H19N3O2S2/c1-22-16(21)14-12-4-2-3-5-13(12)24-15(14)20-17(23)19-10-11-6-8-18-9-7-11/h6-9H,2-5,10H2,1H3,(H2,19,20,23) |
| InChIKey |
ZEWREXPMRWIWTE-UHFFFAOYSA-N |
| Molecular Weight |
361.478 g/mol |
| SMILES |
N(C1=C(C=2CCCCC2S1)C(=O)OC)C(=S)NCC=1C=CN=CC1 |
![Methyl 2-({[(4-pyridinylmethyl)amino]carbothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate](/api/spectrum/D4CpFAv1frM/structure.png?h=300&w=458 "Methyl 2-({[(4-pyridinylmethyl)amino]carbothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate")
