Compound Identification
SMILES
CN1CCC2=C1C=CC(SC1=C(Cl)C=C(\C=C\C(=O)N3CCN(CC3)C(C)=O)C=C1)=C2
InChIKey
InChIKey=OPRNRVCUIDPYPQ-XBXARRHUSA-N
Formula
C24H26ClN3O2S
Mass
456.0
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Cinnamic acids and derivatives
Alternative Parents
Diarylthioethers Indoles and derivatives Thiophenol ethers Styrenes Dialkylarylamines Aralkylamines Chlorobenzenes Piperazines Aryl chlorides Tertiary carboxylic acid amides Acetamides Amino acids and derivatives Sulfenyl compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid or derivatives - Diarylthioether - Indole or derivatives - Aryl thioether - Styrene - Tertiary aliphatic/aromatic amine - Thiophenol ether - Dialkylarylamine - Chlorobenzene - Halobenzene - Aralkylamine - Benzenoid - Piperazine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Tertiary carboxylic acid amide - Acetamide - Tertiary amine - Carboxamide group - Amino acid or derivatives - Sulfenyl compound - Azacycle - Thioether - Organoheterocyclic compound - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Amine - Organohalogen compound - Organochloride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cinnamic acids and derivatives. These are organic aromatic compounds containing a benzene and a carboxylic acid group (or a derivative thereof) forming 3-phenylprop-2-enoic acid.
External Descriptors
Not available