Compound Identification
SMILES
CC12CC(CC(C)(C)C1)N(CN1C(=O)C(=NNC(=O)CSC3=NC4=CC=CC=C4S3)C3=C1C=CC(Br)=C3)C2
InChIKey
InChIKey=DKWPGJMSMAYPOR-UHFFFAOYSA-N
Formula
C28H30BrN5O2S2
Mass
612.61
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
Indoles and derivatives Alkylarylthioethers Azepanes Aryl bromides Benzenoids N-alkylpyrrolidines Heteroaromatic compounds Thiazoles Tertiary carboxylic acid amides Lactams Azacyclic compounds Sulfenyl compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organobromides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-benzothiazole - Indole or derivatives - Aryl thioether - Azepane - Alkylarylthioether - Aryl bromide - Aryl halide - Benzenoid - N-alkylpyrrolidine - Azole - Heteroaromatic compound - Pyrrolidine - Thiazole - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Sulfenyl compound - Carboxylic acid derivative - Azacycle - Thioether - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organosulfur 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