Compound Identification
SMILES
CCOC1=CC(=CC(OCC)=C1OCC)C(=O)N=C1SC2=C(C=CC(Br)=C2)N1CC#C
InChIKey
InChIKey=KIMAWSJNNOAUBO-UHFFFAOYSA-N
Formula
C23H23BrN2O4S
Mass
503.41
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
Benzoic acids and derivatives Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers Aryl bromides Thiazoles Heteroaromatic compounds Isothioureas Acetylides Azacyclic compounds Carboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organobromides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoic acid or derivatives - 1,3-benzothiazole - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Isothiourea - Azacycle - Carboxylic acid derivative - Acetylide - Ether - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen 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