Compound Identification
SMILES
CCCN(CCC1CCC(CC(=O)\C=C\C2=CC=CC=C2Cl)CC1)[C@H]1CCC2=C(C1)SC(N)=N2
InChIKey
InChIKey=HCADFLPMJDQAHO-FXPYWISHSA-N
Formula
C28H38ClN3OS
Mass
500.14
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 Chlorobenzenes Aralkylamines Aryl chlorides 2-amino-1,3-thiazoles Heteroaromatic compounds Enones Acryloyl compounds Trialkylamines Ketones Azacyclic compounds Primary amines Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid or derivatives - Styrene - Halobenzene - Chlorobenzene - Aralkylamine - Aryl chloride - Aryl halide - Benzenoid - 1,3-thiazol-2-amine - Monocyclic benzene moiety - Enone - Thiazole - Alpha,beta-unsaturated ketone - Azole - Heteroaromatic compound - Acryloyl-group - Tertiary aliphatic amine - Tertiary amine - Ketone - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organooxygen compound - Primary amine - Amine - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organochloride - Organohalogen compound - 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