Compound Identification
SMILES
COC(=O)C1CC=CCC1C(=O)NC1=CC2=C(C=C1)N=C(SCCSC(C)C)S2
InChIKey
InChIKey=VXZKIFQYQNDEGM-UHFFFAOYSA-N
Formula
C21H26N2O3S3
Mass
450.63
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
N-arylamides Alkylarylthioethers Benzenoids Thiazoles Methyl esters Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Monocarboxylic acids and derivatives Dialkylthioethers Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-benzothiazole - Aryl thioether - N-arylamide - Alkylarylthioether - Benzenoid - Azole - Thiazole - Heteroaromatic compound - Methyl ester - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Sulfenyl compound - Thioether - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Dialkylthioether - Organic oxide - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - 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