Compound Identification
SMILES
CC1(CCCCC1)N1CC2=C(C=CC(NC3=C4C(=CC=NC4=O)N(N3)C(CC#N)C3CC3)=C2)S1(=O)=O
InChIKey
InChIKey=GCPQYAQJQNGZER-UHFFFAOYSA-N
Formula
C26H30N6O3S
Mass
506.63
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
Pyridinones Organosulfonamides Benzenoids Vinylogous amides Pyrazoles Heteroaromatic compounds Nitriles Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,2-benzothiazole - Pyridinone - Pyridine - Benzenoid - Organosulfonic acid amide - Azole - Pyrazole - Heteroaromatic compound - Organic sulfonic acid or derivatives - Vinylogous amide - Organosulfonic acid or derivatives - Carbonitrile - Nitrile - Azacycle - Cyanide - Organooxygen compound - Organonitrogen compound - Amine - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen 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