Compound Identification
SMILES
[H+].CCN(CC)CC.[O-]S(=O)(=O)CCCN1\C(SC2=C1C=C(Cl)C=C2)=C/C1=[N+](CCCS([O-])(=O)=O)C2CC(Cl)=CC=C2S1
InChIKey
InChIKey=QLWPKBDNSBUZTG-UHFFFAOYSA-N
Formula
C27H37Cl2N3O6S4
Mass
698.75
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 Aryl chlorides Benzenoids Alkanesulfonic acids Thiazolines Thiazoles Sulfonyls Quaternary ammonium salts Organosulfonic acids Trialkylamines Ketene acetals Vinyl chlorides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Chloroalkenes Organic salts Organochlorides Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Not available
Substituents
Benzo-thiazole - 1,2-benzothiazole - 1,3-benzothiazole - Aryl thioether - Aryl chloride - Aryl halide - Benzenoid - Meta-thiazoline - Thiazole - Alkanesulfonic acid - Quaternary ammonium salt - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Tertiary amine - Ketene acetal or derivatives - Tertiary aliphatic amine - Azacycle - Chloroalkene - Haloalkene - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Vinyl halide - Vinyl chloride - Organosulfur compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Organic salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Amine - 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