Compound Identification
SMILES
[Cl-].CN(CCC[N+]1(C)CC[C@H](C1)OC(=O)C(O)(C1CCCCC1)C1=CC=CO1)C1=CC=CC=C1.C[N+]1(CCCOC2=NC3=CC=CC=C3S2)CCC(C1)OC(=O)C(O)(C1CCCCC1)C1=CC=CO1
InChIKey
InChIKey=GDCRRZYBCVUNHY-CRXBLQIWSA-M
Formula
C54H74ClN4O9S
Mass
990.71
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
Aniline and substituted anilines Dialkylarylamines Alkyl aryl ethers N-alkylpyrrolidines Thiazoles Tetraalkylammonium salts Tertiary alcohols Heteroaromatic compounds Furans Amino acids and derivatives Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives Aromatic alcohols Organic chloride salts Organic cations
Molecular Framework
Not available
Substituents
1,3-benzothiazole - Dialkylarylamine - Aniline or substituted anilines - Alkyl aryl ether - Monocyclic benzene moiety - N-alkylpyrrolidine - Benzenoid - Azole - Furan - Pyrrolidine - Quaternary ammonium salt - Tertiary alcohol - Thiazole - Tetraalkylammonium salt - Heteroaromatic compound - Tertiary amine - Amino acid or derivatives - Carboxylic acid ester - Azacycle - Oxacycle - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Aromatic alcohol - Organic chloride salt - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Amine - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organic oxide - Alcohol - 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