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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzothiazoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzothiazoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzothiazoles
Alternative Parents
Anisoles Aryl thioethers Alkyl aryl ethers Vinylogous thioesters Vinylogous amides Thiazolines Thiazoles Ketene acetals N-acylimines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxylic acids and derivatives Carbonyl compounds Amines Organic iodide salts Organic oxides Hydrocarbon derivatives Organic cations
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