Compound Identification
SMILES
O=S(=O)(CCCSC1=NC2=CC=CC=C2S1)N1CCN(CC2=CC3=C(OCO3)C=C2)CC1
InChIKey
InChIKey=GWPLAPVVAZUFMY-UHFFFAOYSA-N
Formula
C22H25N3O4S3
Mass
491.64
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
Benzodioxoles Alkylarylthioethers Aralkylamines N-alkylpiperazines Organosulfonamides Benzenoids Organic sulfonamides Thiazoles Sulfonyls Heteroaromatic compounds Trialkylamines Acetals Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - 1,3-benzothiazole - Aryl thioether - N-alkylpiperazine - Alkylarylthioether - Aralkylamine - Organosulfonic acid amide - Benzenoid - 1,4-diazinane - Piperazine - Organic sulfonic acid amide - Azole - Organosulfonic acid or derivatives - Thiazole - Sulfonyl - Organic sulfonic acid or derivatives - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Acetal - Oxacycle - Azacycle - Sulfenyl compound - Thioether - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organic oxygen 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