Compound Identification
SMILES
COC(=O)C1=C(NC(=O)CSCC(=O)N=C2SC3=C(C=CC(Br)=C3)N2C)SC2=C1CCC2
InChIKey
InChIKey=TZTWSQIDYZUPSN-UHFFFAOYSA-N
Formula
C21H20BrN3O4S3
Mass
554.49
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
Thiophene carboxylic acids and derivatives N-arylamides Aryl bromides Benzenoids Vinylogous amides Thiazoles Heteroaromatic compounds Methyl esters Secondary carboxylic acid amides Isothioureas N-acylimines Dialkylthioethers Azacyclic compounds Sulfenyl compounds Hydrocarbon derivatives Organobromides Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-benzothiazole - Thiophene carboxylic acid or derivatives - N-arylamide - Aryl bromide - Aryl halide - Benzenoid - Azole - Thiazole - Thiophene - Heteroaromatic compound - Methyl ester - Vinylogous amide - N-acylimine - Carboxamide group - Carboxylic acid ester - Isothiourea - Secondary carboxylic acid amide - Dialkylthioether - Azacycle - Sulfenyl compound - Carboxylic acid derivative - Thioether - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organobromide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen 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