Compound Identification
SMILES
CN1CCCC1OC1=CC=C(SC[C@@H]2CCCC[C@H]2C(=O)NCC#N)C=C1
InChIKey
InChIKey=MUIZDAYLFAPLID-VPSRXSMPSA-N
Formula
C21H29N3O2S
Mass
387.54
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
- Class Phenol ethers
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenol ethers
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Phenol ethers
Alternative Parents
Thiophenol ethers Phenoxy compounds Alkylarylthioethers N-alkylpyrrolidines Secondary carboxylic acid amides Sulfenyl compounds Nitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenoxy compound - Aryl thioether - Phenol ether - Thiophenol ether - Alkylarylthioether - Monocyclic benzene moiety - N-alkylpyrrolidine - Pyrrolidine - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Carbonitrile - Nitrile - Thioether - Azacycle - Sulfenyl compound - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Cyanide - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
External Descriptors
Not available