Compound Identification
SMILES
O.OC(=O)C(O)=O.CC(C)OC1=NC2=C(S1)C=C(NC(C)CN1CCN(CCC3=CC=CC=C3)CC1)C=C2
InChIKey
InChIKey=PKRLUIYNCRRWMJ-UHFFFAOYSA-N
Formula
C27H38N4O6S
Mass
546.68
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
Phenethylamines Secondary alkylarylamines N-alkylpiperazines Aralkylamines Alkyl aryl ethers Dicarboxylic acids and derivatives Thiazoles Heteroaromatic compounds Trialkylamines Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
1,3-benzothiazole - Phenethylamine - Alkyl aryl ether - Secondary aliphatic/aromatic amine - N-alkylpiperazine - Aralkylamine - Monocyclic benzene moiety - 1,4-diazinane - Dicarboxylic acid or derivatives - Piperazine - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Tertiary amine - Tertiary aliphatic amine - Secondary amine - Azacycle - Ether - Carboxylic acid derivative - Carboxylic acid - Hydrocarbon derivative - Amine - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic nitrogen 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