Compound Identification
SMILES
O=C(COCC1=NC2=CC=CC=C2S1)N1CC[NH+](CC1)[C@@H]1CCS(=O)(=O)C1
InChIKey
InChIKey=SWUCEXUGBXDUEE-CQSZACIVSA-O
Formula
C18H24N3O4S2
Mass
410.53
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
N-alkylpiperazines Benzenoids Thiolanes Thiazoles Tertiary carboxylic acid amides Sulfones Quaternary ammonium salts Heteroaromatic compounds Trialkylamines Amino acids and derivatives Azacyclic compounds Dialkyl ethers Carbonyl compounds Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-benzothiazole - N-alkylpiperazine - 1,4-diazinane - Benzenoid - Piperazine - Azole - Heteroaromatic compound - Thiolane - Thiazole - Tertiary carboxylic acid amide - Sulfone - Quaternary ammonium salt - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Dialkyl ether - Azacycle - Ether - Organic nitrogen compound - Amine - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen 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