Compound Identification
SMILES
[Cl-].CC[N+]1=CC=CC=C1\C=C1/S\C(C(=O)N1CCO)=C1/SC2=CC=CC=C2N1C
InChIKey
InChIKey=CTVZQUJJAIZVNI-WQGAEACMSA-M
Formula
C21H22ClN3O2S2
Mass
448.0
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
Aryl thioethers Pyridinium derivatives Benzenoids Vinylogous amides Thiazoles Heteroaromatic compounds Lactams Azacyclic compounds Alkanolamines Primary alcohols Organic oxides Organic chloride salts Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzo-thiazole - 1,2-benzothiazole - 1,3-benzothiazole - Aryl thioether - Pyridine - Pyridinium - Benzenoid - Heteroaromatic compound - Vinylogous amide - Azole - Thiazole - Lactam - Azacycle - Alkanolamine - Hydrocarbon derivative - Organic chloride salt - Alcohol - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Organic salt - 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