Compound Identification
SMILES
COC(C)(C)CCSC1=NC2=C(S1)C=C(NC(=O)C1=COC3=C1C(=O)CCC3)C=C2
InChIKey
InChIKey=WKMTYBPWSQWEBW-UHFFFAOYSA-N
Formula
C22H24N2O4S2
Mass
444.56
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
Benzofurans Aryl alkyl ketones Furan-3-carboxylic acid and derivatives Alkylarylthioethers Benzenoids Thiazoles Heteroaromatic compounds Secondary carboxylic acid amides Dialkyl ethers Oxacyclic compounds Azacyclic compounds Sulfenyl compounds Hydrocarbon derivatives Aldehydes Organopnictogen compounds Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzofuran - 1,3-benzothiazole - Furoic acid or derivatives - Furan-3-carboxylic acid or derivatives - Aryl thioether - Aryl alkyl ketone - Aryl ketone - Alkylarylthioether - Benzenoid - Azole - Furan - Heteroaromatic compound - Thiazole - Carboxamide group - Ketone - Secondary carboxylic acid amide - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Sulfenyl compound - Thioether - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organopnictogen compound - Organic oxide - Aldehyde - 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