C15 H17 N3 S
A1CWD
N-(2-methylphenyl)-N'-[2-(pyridin-2-yl)ethyl]thiourea
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
N-(2-methylphenyl)-N'-[2-(pyridin-2-yl)ethyl]thiourea
Formula
Standard InChI
InChI=1S/C15H17N3S/c1-12-6-2-3-8-14(12)18-15(19)17-11-9-13-7-4-5-10-16-13/h2-8,10H,9,11H2,1H3,(H2,17,18,19)
Standard InChI Key
JVGVRAXBIGSPJW-UHFFFAOYSA-N
SMILES
Cc1ccccc1NC(=S)NCCc2ccccn2
Source OpenEye
First observed in
Overall view, and highlighted
scaffolds and fragments ![help icon]()
This image gallery displays several views of the ligand structure:
- Basic Structural Representation: Shows the overall structure of the ligand.
- Detailed Structural Representation: Highlights individual atoms within the ligand.
- Murcko Scaffold: Presents the scaffold of the ligand highlighted in yellow.
- Highlighted Fragments: Displays various ligand fragments, highlighted in yellow.
This image gallery displays several views of the ligand structure:
- Basic Structural Representation: Shows the overall structure of the ligand.
- Detailed Structural Representation: Highlights individual atoms within the ligand.
- Murcko Scaffold: Presents the scaffold of the ligand highlighted in yellow.
- Highlighted Fragments: Displays various ligand fragments, highlighted in yellow.
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