Compound Identification
SMILES
CCCCC(=O)N=C1SC2=C(C=CC(Br)=C2)N1CCC(=O)OC
InChIKey
InChIKey=NGIWTHPNLXHXDC-UHFFFAOYSA-N
Formula
C16H19BrN2O3S
Mass
399.3
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
Benzenoids Aryl bromides Thiazoles Methyl esters Heteroaromatic compounds N-acylimines Isothioureas Monocarboxylic acids and derivatives Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-benzothiazole - Aryl bromide - Aryl halide - Benzenoid - Azole - Heteroaromatic compound - Methyl ester - Thiazole - Carboxylic acid ester - N-acylimine - Isothiourea - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organobromide - Organonitrogen 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