Structure Information
Structure

Compound Identification

SMILES

CC1=CC=C(C=C1)C(CC(O)=O)CC1=CSC(CCCC2=NC3=C(CCCN3)C=C2)=N1

InChIKey

InChIKey=BWTGSGUCWZRNSU-UHFFFAOYSA-N

Formula

C25H29N3O2S

Mass

435.59

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Phenylpropanoic acids

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Phenylpropanoic acids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

3-phenylpropanoic-acid - P-cymene - Aromatic monoterpenoid - Bicyclic monoterpenoid - Monoterpenoid - Naphthyridine - 2,4-disubstituted 1,3-thiazole - Toluene - Monocyclic benzene moiety - Pyridine - Imidolactam - Benzenoid - Thiazole - Azole - Heteroaromatic compound - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organic oxide - Amine - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid.

External Descriptors

Not available

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