Compound Identification
SMILES
OC(=O)C1=CC2=C(C=C1)N=C(S2)C(=O)COC1=CC=C(SCCCCCC2=CC=CC=C2)C=C1
InChIKey
InChIKey=KIXJJRMYSGJAAF-UHFFFAOYSA-N
Formula
C27H25NO4S2
Mass
491.62
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
Thiophenol ethers Phenoxy compounds Phenol ethers Aryl alkyl ketones Alkylarylthioethers Alkyl aryl ethers Thiazoles Heteroaromatic compounds Sulfenyl compounds Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-benzothiazole - Phenoxy compound - Aryl thioether - Aryl alkyl ketone - Aryl ketone - Phenol ether - Thiophenol ether - Alkyl aryl ether - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Ketone - Carboxylic acid derivative - Carboxylic acid - Ether - Azacycle - Sulfenyl compound - Thioether - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - 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