Compound Identification
SMILES
[Na+].[O-]C(=O)CCSC(CCC1=CC=CC=C1)C1=CC(OCC2=NC3=C(C=CC(Cl)=C3)C=C2)=CC=C1
InChIKey
InChIKey=LZEBRNLNVCOQNV-UHFFFAOYSA-M
Formula
C28H25ClNNaO3S
Mass
514.01
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Linear 1,3-diarylpropanoids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Linear 1,3-diarylpropanoids
Alternative Parents
Chloroquinolines Phenoxy compounds Phenol ethers Alkyl aryl ethers Pyridines and derivatives Aryl chlorides Heteroaromatic compounds Carboxylic acid salts Sulfenyl compounds Azacyclic compounds Carboxylic acids Dialkylthioethers Monocarboxylic acids and derivatives Organic metal halides Organic zwitterions Carbonyl compounds Organic sodium salts Hydrocarbon derivatives Organochlorides Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Linear 1,3-diarylpropanoid - Haloquinoline - Chloroquinoline - Quinoline - Phenoxy compound - Phenol ether - Alkyl aryl ether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Carboxylic acid salt - Organic metal halide - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Azacycle - Organic alkali metal salt - Thioether - Sulfenyl compound - Organoheterocyclic compound - Dialkylthioether - Organonitrogen compound - Organochloride - Organohalogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic sodium salt - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organic zwitterion - Organic salt - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as linear 1,3-diarylpropanoids. These are organic compounds with a structure based on a C6-C3-C6 skeleton, where the two benzene rings are not linked together.
External Descriptors
Not available