Compound Identification
SMILES
CC1=CC(=CNC2=CC=C(C=C2)C2=NC3=CC=CC=C3S2)C(=O)C(Br)=C1
InChIKey
InChIKey=WATXZEKTTXREPR-UHFFFAOYSA-N
Formula
C21H15BrN2OS
Mass
423.33
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
O-quinomethanes Aniline and substituted anilines Vinylogous amides Thiazoles Heteroaromatic compounds Alpha-haloketones Vinyl bromides Enamines Bromoalkenes Azacyclic compounds Allylamines Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-benzothiazole - O-quinomethane - Quinomethane - Aniline or substituted anilines - Monocyclic benzene moiety - Benzenoid - Alpha-haloketone - Azole - Heteroaromatic compound - Thiazole - Vinylogous amide - Ketone - Cyclic ketone - Haloalkene - Vinyl halide - Vinyl bromide - Azacycle - Bromoalkene - Enamine - Allylamine - Hydrocarbon derivative - Organobromide - Organohalogen compound - Organonitrogen compound - Amine - Organooxygen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - 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