Compound Identification
SMILES
[I-].CCN1C(SC2=C1C=C(Cl)C=C2)=CC(CC)=CC1=[N+](CCC(O)=O)C2=C(S1)C=C(OC)C(C)=C2
InChIKey
InChIKey=GVPSWCPXMXRKKI-UHFFFAOYSA-N
Formula
C26H28ClIN2O3S2
Mass
643.0
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 Aryl chlorides Thiazoles Heteroaromatic compounds Ketene acetals Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Amines Carbonyl compounds Organic iodide salts Organic oxides Organochlorides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-benzothiazole - 1,2-benzothiazole - Benzo-thiazole - Aryl thioether - Anisole - Phenol ether - Alkyl aryl ether - Aryl chloride - Aryl halide - Benzenoid - Heteroaromatic compound - Thiazole - Azole - Ketene acetal or derivatives - Carboxylic acid derivative - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Ether - Organic nitrogen compound - Amine - Organohalogen compound - Organochloride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic salt - Organic iodide salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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