Compound Identification
SMILES
[O-][N+](=O)C1=CC2=C(C=C1)N(CC#C)C(S2)=NC(=O)CS(=O)(=O)CC(=O)N1CCCCCC1
InChIKey
InChIKey=BRDXDGLBORPUJL-UHFFFAOYSA-N
Formula
C20H22N4O6S2
Mass
478.54
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
Nitroaromatic compounds Azepanes Benzenoids Thiazoles Tertiary carboxylic acid amides Sulfones Heteroaromatic compounds N-acylimines Isothioureas Propargyl-type 1,3-dipolar organic compounds Acetylides Azacyclic compounds Organic oxoazanium compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic zwitterions Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-benzothiazole - Nitroaromatic compound - Azepane - Benzenoid - Azole - Sulfone - Sulfonyl - Tertiary carboxylic acid amide - Heteroaromatic compound - Thiazole - Carboxamide group - Isothiourea - C-nitro compound - N-acylimine - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Acetylide - Azacycle - Organonitrogen compound - Organic zwitterion - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organopnictogen 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