Compound Identification
SMILES
CCOC(=O)C1=NN(C2=CC=C(Br)C=C2)[C@@]2(NC3=CC=CC=C3S2)S1
InChIKey
InChIKey=BJQTWPBQPOWFHS-QGZVFWFLSA-N
Formula
C17H14BrN3O2S2
Mass
436.34
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
Secondary alkylarylamines Bromobenzenes Alkylarylthioethers Aryl bromides Thiazoles Thiadiazolines Carboxylic acid esters Amino acids and derivatives Monocarboxylic acids and derivatives Hydrazones Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzo-thiazole - 1,2-benzothiazole - 1,3-benzothiazole - Aryl thioether - Alkylarylthioether - Secondary aliphatic/aromatic amine - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Thiazole - Thiadiazoline - Amino acid or derivatives - Carboxylic acid ester - Azacycle - Thioether - Secondary amine - Carboxylic acid derivative - Hydrazone - Monocarboxylic acid or derivatives - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Amine - Organic oxygen compound - Organonitrogen compound - Organobromide - Organic oxide - Hydrocarbon derivative - Organohalogen 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