Compound Identification
SMILES
[Cl-].C[NH+](CCCCN1C(=O)C2=CC=CC=C2S1(=O)=O)C1CCC(CC1)(C#N)C1=CC=CC=C1
InChIKey
InChIKey=OAVKDQFITIWUQY-UHFFFAOYSA-N
Formula
C25H30ClN3O3S
Mass
488.04
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
Cyclohexylamines Aralkylamines Benzene and substituted derivatives Quaternary ammonium salts Organosulfonic acids and derivatives Trialkylamines Amino acids and derivatives Nitriles Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Organic chloride salts Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,2-benzothiazole - Cyclohexylamine - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Quaternary ammonium salt - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Amino acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Carbonitrile - Nitrile - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Cyanide - Amine - Organopnictogen compound - Organic oxygen compound - Organic chloride salt - Organic salt - 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