Compound Identification
SMILES
CC1=CC2=C(C=C1)N(CC1CCN(CC1)C(=O)OC(C)(C)C)C(S2)=NC(=O)C(F)(F)F
InChIKey
InChIKey=QIQXBOVZDMLKLJ-UHFFFAOYSA-N
Formula
C21H26F3N3O3S
Mass
457.51
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
Piperidinecarboxylic acids Benzenoids Thiazoles Heteroaromatic compounds Carbamate esters N-acylimines Isothioureas Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-benzothiazole - Piperidinecarboxylic acid - Piperidine - Benzenoid - Azole - Heteroaromatic compound - Carbamic acid ester - Thiazole - Isothiourea - N-acylimine - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - Alkyl fluoride - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Alkyl halide - 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