Compound Identification
SMILES
[O-][N+](=O)C1=CC2=C(C=C1)N=C(NC(=O)CSC1=C(C=CC(=N1)C13CC4CC(CC(C4)C1)C3)C#N)S2
InChIKey
InChIKey=WZUOZPHUVPUKDN-UHFFFAOYSA-N
Formula
C25H23N5O3S2
Mass
505.61
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
3-pyridinecarbonitriles Nitroaromatic compounds N-arylamides Alkylarylthioethers Benzenoids Thiazoles Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Nitriles Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-benzothiazole - Aryl thioether - Nitroaromatic compound - N-arylamide - 3-pyridinecarbonitrile - Alkylarylthioether - Pyridine - Benzenoid - Azole - Thiazole - Heteroaromatic compound - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Carbonitrile - Nitrile - Organic oxoazanium - Thioether - Sulfenyl compound - Azacycle - Allyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Cyanide - Organic oxygen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organic zwitterion - Organic nitrogen compound - Organic salt - 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