Compound Identification
SMILES
CC(C)SCCSC1=NC2=C(S1)C=C(NC(=O)C1=CC=C(S1)[N+]([O-])=O)C=C2
InChIKey
InChIKey=WEPNMQAHXMJHDE-UHFFFAOYSA-N
Formula
C17H17N3O3S4
Mass
439.58
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
2-nitrothiophenes Thiophene carboxamides 2-heteroaryl carboxamides Nitroaromatic compounds 2,5-disubstituted thiophenes Alkylarylthioethers Benzenoids Thiazoles Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Dialkylthioethers Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organonitrogen compounds Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-benzothiazole - 2-nitrothiophene - Nitrothiophene - 2-heteroaryl carboxamide - Aryl thioether - Nitroaromatic compound - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - 2,5-disubstituted thiophene - Alkylarylthioether - Benzenoid - Azole - Thiazole - Thiophene - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Secondary carboxylic acid amide - Carboxamide group - Organic 1,3-dipolar compound - Azacycle - Dialkylthioether - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Thioether - Sulfenyl compound - Organosulfur compound - Organic salt - Organonitrogen compound - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic zwitterion - 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