Compound Identification
SMILES
CNC1=C(CCOC2=CC=C(CC(CC(O)=O)C3=NC4=CC=CC=C4S3)C=C2)N=CC=C1
InChIKey
InChIKey=KGUQCHRHPJSHQT-UHFFFAOYSA-N
Formula
C25H25N3O3S
Mass
447.55
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
Phenoxy compounds Phenol ethers Secondary alkylarylamines Aminopyridines and derivatives Alkyl aryl ethers Thiazoles Heteroaromatic compounds Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-benzothiazole - Phenoxy compound - Phenol ether - Alkyl aryl ether - Aminopyridine - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Benzenoid - Pyridine - Azole - Heteroaromatic compound - Thiazole - Amino acid or derivatives - Amino acid - Azacycle - Secondary amine - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Carbonyl group - Amine - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen 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