Structure Information
Structure

Compound Identification

SMILES

CCC(=CC1=[N+](CCCCS([O-])(=O)=O)C2=C(S1)C=CC(Cl)=C2)C=C1SC2=C(C=C(Cl)C=C2)N1CCCCS(O)(=O)=O

InChIKey

InChIKey=MBCYYQMJNFIFQX-UHFFFAOYSA-N

Formula

C27H30Cl2N2O6S4

Mass

677.69

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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

Benzo-thiazole - 1,2-benzothiazole - 1,3-benzothiazole - Aryl thioether - Aryl chloride - Aryl halide - Benzenoid - Azole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Thiazole - Alkanesulfonic acid - Heteroaromatic compound - Ketene acetal or derivatives - Azacycle - Organosulfur compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - 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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