Compound Identification
SMILES
OOC(=C)CCCCN1\C(SC2=CC=CC=C12)=C\C1=CC2=C\C(CCC2CC1)=C\C1=[N+](CCCCCC(O)=O)C2=CC=CC=C2S1
InChIKey
InChIKey=WYTRSJVPLYHOGL-UHFFFAOYSA-O
Formula
C38H43N2O4S2
Mass
655.89
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 thioethers Medium-chain fatty acids Heterocyclic fatty acids Benzenoids Thiazoles Heteroaromatic compounds Amino acids Tertiary amines Organic hydroperoxides Ketene acetals Azacyclic compounds Carboxylic acids Peroxols Monocarboxylic acids and derivatives Organic oxides Carbonyl compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-benzothiazole - 1,2-benzothiazole - Benzo-thiazole - Aryl thioether - Medium-chain fatty acid - Heterocyclic fatty acid - Fatty acyl - Benzenoid - Heteroaromatic compound - Thiazole - Azole - Amino acid or derivatives - Amino acid - Ketene acetal or derivatives - Tertiary amine - Hydroperoxide - Carboxylic acid - Carboxylic acid derivative - Peroxol - Azacycle - Monocarboxylic acid or derivatives - Amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic cation - 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