Structure Information
Structure

Compound Identification

SMILES

[I-].CCN1C(SC2=C1C=C(Cl)C=C2)=CC(CC)=CC1=[N+](CCC(O)=O)C2=C(S1)C=C(OC)C(C)=C2

InChIKey

InChIKey=GVPSWCPXMXRKKI-UHFFFAOYSA-N

Formula

C26H28ClIN2O3S2

Mass

643.0

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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 - 1,2-benzothiazole - Benzo-thiazole - Aryl thioether - Anisole - Phenol ether - Alkyl aryl ether - Aryl chloride - Aryl halide - Benzenoid - Heteroaromatic compound - Thiazole - Azole - Ketene acetal or derivatives - Carboxylic acid derivative - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Ether - Organic nitrogen compound - Amine - Organohalogen compound - Organochloride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic salt - Organic iodide salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic cation - 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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