Compound Identification
SMILES
CC1=NN([C@H]2CCS(=O)(=O)C2)C(C)=C1\C=C\C(=O)C1=NC2=CC=CC=C2S1
InChIKey
InChIKey=UXJJOYILXLCZFG-NPQIQWPPSA-N
Formula
C19H19N3O3S2
Mass
401.5
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
Aryl ketones Benzenoids Thiolanes Thiazoles Sulfones Pyrazoles Heteroaromatic compounds Enones Acryloyl compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-benzothiazole - Aryl ketone - Benzenoid - Acryloyl-group - Azole - Enone - Heteroaromatic compound - Pyrazole - Alpha,beta-unsaturated ketone - Thiolane - Thiazole - Sulfone - Ketone - Azacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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