| SpectraBase Spectrum ID |
BWCD5cCKgjs |
| Name |
Methyl 2-({[(2-furylmethyl)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 |
350.075884793 u |
| Formula |
C16H18N2O3S2 |
| InChI |
InChI=1S/C16H18N2O3S2/c1-20-15(19)13-11-6-2-3-7-12(11)23-14(13)18-16(22)17-9-10-5-4-8-21-10/h4-5,8H,2-3,6-7,9H2,1H3,(H2,17,18,22) |
| InChIKey |
XWZRSUHEXGCNIC-UHFFFAOYSA-N |
| Molecular Weight |
350.451 g/mol |
| SMILES |
N(C1=C(C2=C(CCCC2)S1)C(=O)OC)C(=S)NCC=1OC=CC1 |
![Methyl 2-({[(2-furylmethyl)amino]carbothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate](/api/spectrum/BWCD5cCKgjs/structure.png?h=300&w=458 "Methyl 2-({[(2-furylmethyl)amino]carbothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate")
