Compound Identification
SMILES
N#C\C(=C/N1CCN(CC2=CC3=C(OCO3)C=C2)CC1)C1=NC2=CC=CC=C2S1
InChIKey
InChIKey=BQPBTSDVGARJHD-SAPNQHFASA-N
Formula
C22H20N4O2S
Mass
404.49
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
Benzodioxoles N-alkylpiperazines Aralkylamines Benzenoids Thiazoles Heteroaromatic compounds Trialkylamines Oxacyclic compounds Nitriles Enamines Azacyclic compounds Acetals Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - 1,3-benzothiazole - Aralkylamine - N-alkylpiperazine - 1,4-diazinane - Piperazine - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Tertiary amine - Tertiary aliphatic amine - Acetal - Oxacycle - Nitrile - Carbonitrile - Enamine - Azacycle - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen 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