Compound Identification
SMILES
CN1C(SC2=CC=CC=C12)=C1SC(=NC2=CC(Br)=CC=C2)N(C1=O)C1=CC=C(F)C=C1
InChIKey
InChIKey=YAOPZJOUQFPCCA-UHFFFAOYSA-N
Formula
C23H15BrFN3OS2
Mass
512.42
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
Aryl thioethers Fluorobenzenes Bromobenzenes Vinylogous thioesters Aryl bromides Aryl fluorides Vinylogous amides Thiazolidines Thiazoles Isothioureas Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organofluorides Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-benzothiazole - Benzo-thiazole - 1,2-benzothiazole - Aryl thioether - Halobenzene - Fluorobenzene - Bromobenzene - Aryl bromide - Aryl fluoride - Aryl halide - Benzenoid - Vinylogous thioester - Monocyclic benzene moiety - Thiazole - Thiazolidine - Vinylogous amide - Isothiourea - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organofluoride - 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