Compound Identification
SMILES
CC1(C)C2=C(Cl)C=CC(NC(O)NC3=CC=CC=C3Br)=C2NS1(=O)=O
InChIKey
InChIKey=QZODQKHGZMTWTE-UHFFFAOYSA-N
Formula
C16H17BrClN3O3S
Mass
446.74
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
Phenylalkylamines Bromobenzenes Organosulfonamides Organic sulfonamides Aryl chlorides Aryl bromides Orthocarboxylic acid derivatives Azacyclic compounds Alkanolamines Organooxygen compounds Organochlorides Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,2-benzothiazole - Phenylalkylamine - Bromobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Organic sulfonic acid amide - Organosulfonic acid amide - Benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Orthocarboxylic acid derivative - Alkanolamine - Azacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organobromide - Organohalogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - 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