Compound Identification
SMILES
ClC1=CC(Cl)=C(\C=C\C(=O)NC(=S)NCCC[NH+]2CCOCC2)C=C1
InChIKey
InChIKey=JZYFHKANDZZHSZ-HWKANZROSA-O
Formula
C17H22Cl2N3O2S
Mass
403.34
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
Styrenes Dichlorobenzenes Aryl chlorides Morpholines Quaternary ammonium salts Trialkylamines Thioureas Oxacyclic compounds Azacyclic compounds Carboxylic acids and derivatives Dialkyl ethers Carbonyl compounds Organochlorides Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid or derivatives - 1,3-dichlorobenzene - Styrene - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Morpholine - Benzenoid - Oxazinane - Quaternary ammonium salt - Tertiary aliphatic amine - Thiourea - Organoheterocyclic compound - Dialkyl ether - Azacycle - Ether - Carboxylic acid derivative - Oxacycle - Amine - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organic cation - Aromatic heteromonocyclic 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