Compound Identification
SMILES
CCCCCCC1=C(Br)C2=C(SC(=N2)C(CC(S)=O)C(O)=O)C=C1
InChIKey
InChIKey=IGXKFGRDEGETKW-UHFFFAOYSA-N
Formula
C17H20BrNO3S2
Mass
430.38
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
Thia fatty acids Aryl bromides Benzenoids Thiazoles Heteroaromatic compounds Carbodithioic acids Carbothioic S-acids Carboxylic acids Thiocarboxylic acids and derivatives Alkylthiols Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organobromides Carbonyl compounds Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-benzothiazole - Thia fatty acid - Aryl bromide - Aryl halide - Fatty acyl - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Carbothioic s-acid - Carbodithioic acid - Alkylthiol - Carboxylic acid - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Thiocarboxylic acid or derivatives - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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