Compound Identification
SMILES
CC1=CC(NC2=NC(NC3=CC=C(C=C3)C3=NC4=CC=CC=C4S3)=NC=C2)=NN1
InChIKey
InChIKey=KOFCLQKGQYBGNB-UHFFFAOYSA-N
Formula
C21H17N7S
Mass
399.48
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
Aniline and substituted anilines Aminopyrimidines and derivatives Imidolactams Thiazoles Pyrazoles Heteroaromatic compounds Secondary amines Azacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-benzothiazole - Aniline or substituted anilines - Aminopyrimidine - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Imidolactam - Thiazole - Pyrazole - Azole - Heteroaromatic compound - Secondary amine - Azacycle - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Amine - 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