Compound Identification
SMILES
COC1=CC2=C(SC(N2C)=C2SC(=NC3=CC(Br)=CC=C3)N(C3CCCCC3)C2=O)C=C1
InChIKey
InChIKey=XLPOCLGXJWZRIQ-UHFFFAOYSA-N
Formula
C24H24BrN3O2S2
Mass
530.5
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
Anisoles Aryl thioethers Alkyl aryl ethers Bromobenzenes Vinylogous thioesters Aryl bromides Vinylogous amides Thiazolidines Thiazoles Isothioureas Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Amines Organobromides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-benzothiazole - 1,2-benzothiazole - Benzo-thiazole - Phenol ether - Aryl thioether - Anisole - Bromobenzene - Halobenzene - Alkyl aryl ether - Vinylogous thioester - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Vinylogous amide - Thiazolidine - Thiazole - Isothiourea - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Ether - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organobromide - 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