Structure Information
Structure

Compound Identification

SMILES

CCCC#CCCSC1=NC2=C(S1)C=C(NC(=O)C=CC1=CC=C(O1)[N+]([O-])=O)C=C2

InChIKey

InChIKey=WFXSVPAHKMHOFE-UHFFFAOYSA-N

Formula

C21H19N3O4S2

Mass

441.52

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzothiazoles

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Benzothiazoles

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

1,3-benzothiazole - Aryl thioether - Nitroaromatic compound - 2-nitrofuran - N-arylamide - Alkylarylthioether - Benzenoid - Azole - Furan - Heteroaromatic compound - Thiazole - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Organic nitro compound - Carboxylic acid derivative - Oxacycle - Organic oxoazanium - Azacycle - Thioether - Sulfenyl compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organosulfur compound - Carbonyl group - Organic salt - Organopnictogen compound - Organic oxide - Organic zwitterion - Hydrocarbon derivative - Organic nitrogen 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

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