Structure Information
Structure

Compound Identification

SMILES

CN(C)C1=CC=C(C=C2SC(=S)N(C(=O)C3=CC=C(Br)C=C3)C2=O)C=C1

InChIKey

InChIKey=CNZZGJAXTWKUMC-UHFFFAOYSA-N

Formula

C19H15BrN2O2S2

Mass

447.37

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Halobenzoic acids and derivatives

Direct Parent

4-halobenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

4-halobenzoic acid or derivatives - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Benzoyl - Bromobenzene - Halobenzene - Thiazolidinethione - Carboxylic acid imide, n-substituted - Aryl halide - Aryl bromide - Dithiocarbamic acid ester - Dicarboximide - Carboxylic acid imide - Thiazolidine - Cyclic dithiocarbamic acid ester - Amino acid or derivatives - Tertiary amine - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Carbonyl group - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organohalogen compound - Organobromide - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.

External Descriptors

Not available

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