Compound Identification
SMILES
OCCNCCCCOC1=CC2=C(C=C1)C(=NS2)C1=CC=C(Br)C=C1
InChIKey
InChIKey=MLVHTMRESLQADB-UHFFFAOYSA-N
Formula
C19H21BrN2O2S
Mass
421.35
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
Phenol ethers Bromobenzenes Alkyl aryl ethers Aryl bromides Thiazoles Heteroaromatic compounds 1,2-aminoalcohols Dialkylamines Azacyclic compounds Primary alcohols Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,2-benzothiazole - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Thiazole - Azole - Heteroaromatic compound - 1,2-aminoalcohol - Azacycle - Secondary amine - Ether - Secondary aliphatic amine - Alkanolamine - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organohalogen compound - Alcohol - Organobromide - Amine - Primary alcohol - 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