Compound Identification
SMILES
COC1=CC=C(C=C1)C1=CC(CN2CCN(C[C@@H](O)COC3=CC4=C(SC(C)=N4)C=C3)C[C@H]2C)=NO1
InChIKey
InChIKey=UWBDFEBTJQNWGW-XMSQKQJNSA-N
Formula
C27H32N4O4S
Mass
508.64
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
Phenoxy compounds Methoxybenzenes Anisoles N-alkylpiperazines Aralkylamines Alkyl aryl ethers Thiazoles Isoxazoles Heteroaromatic compounds Trialkylamines Secondary alcohols 1,2-aminoalcohols Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-benzothiazole - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - N-alkylpiperazine - Aralkylamine - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Benzenoid - Thiazole - Heteroaromatic compound - Isoxazole - Azole - Tertiary amine - Secondary alcohol - Tertiary aliphatic amine - 1,2-aminoalcohol - Azacycle - Oxacycle - Ether - Organic nitrogen compound - Hydrocarbon derivative - Alcohol - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Amine - 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