Compound Identification
SMILES
COC1=CC2=C(SC(N2C)=C2SC(=NC3=CC=C(Br)C=C3)N(C2=O)C2=CC=C(O)C=C2)C=C1
InChIKey
InChIKey=YGPAILREUGETES-UHFFFAOYSA-N
Formula
C24H18BrN3O3S2
Mass
540.45
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 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Bromobenzenes Vinylogous thioesters Aryl bromides Vinylogous amides Thiazolidines Thiazoles Isothioureas Propargyl-type 1,3-dipolar organic compounds Carboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides Amines Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzo-thiazole - 1,2-benzothiazole - 1,3-benzothiazole - Aryl thioether - Anisole - Phenol ether - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Bromobenzene - Halobenzene - Phenol - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Vinylogous thioester - Benzenoid - Vinylogous amide - Thiazolidine - Thiazole - Isothiourea - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Ether - Amine - Organobromide - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - 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