| SpectraBase Spectrum ID |
8lKFoQQcZPr |
| Name |
Methyl 2-[(3,4-dihydro-2(1H)-isoquinolinylcarbothioyl)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 |
386.112270302 u |
| Formula |
C20H22N2O2S2 |
| InChI |
InChI=1S/C20H22N2O2S2/c1-24-19(23)17-15-8-4-5-9-16(15)26-18(17)21-20(25)22-11-10-13-6-2-3-7-14(13)12-22/h2-3,6-7H,4-5,8-12H2,1H3,(H,21,25) |
| InChIKey |
ZBLAHVCOSDWLQV-UHFFFAOYSA-N |
| Molecular Weight |
386.528 g/mol |
| SMILES |
N(C1=C(C=2CCCCC2S1)C(=O)OC)C(N1CC2=CC=CC=C2CC1)=S |
![methyl 2-[(3,4-dihydro-2(1H)-isoquinolinylcarbothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate](/api/spectrum/8lKFoQQcZPr/structure.png?h=300&w=458 "methyl 2-[(3,4-dihydro-2(1H)-isoquinolinylcarbothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate")
