Structure Information
Structure

Compound Identification

SMILES

[I-].CCN1\C(SC2=CC=CC=C12)=C\C1=[N+](CC)C(=O)\C(S1)=C1\SC2=CC(OC)=C(OC)C=C2N1C

InChIKey

InChIKey=ODQJGJDPQDZIAT-ADYMNVQMSA-M

Formula

C25H26IN3O3S3

Mass

639.59

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzothiazoles

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Benzothiazoles

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzo-thiazole - 1,2-benzothiazole - 1,3-benzothiazole - Aryl thioether - Anisole - Phenol ether - Alkyl aryl ether - Vinylogous thioester - Benzenoid - Thiazole - Meta-thiazoline - Vinylogous amide - N-acylimine - Ketene acetal or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Carboxylic acid derivative - Ether - Organic salt - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic iodide salt - Organic nitrogen compound - Carbonyl group - Amine - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom).

External Descriptors

Not available

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