Structure Information
Structure

Compound Identification

SMILES

COC1=C(C)C=C(Br)C=C1C(=O)NC1=NC2=C(S1)C=C(C=C2)N1CCOCC1

InChIKey

InChIKey=KNHMIMWCRARFOY-UHFFFAOYSA-N

Formula

C20H20BrN3O3S

Mass

462.36

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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

3-halobenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

3-halobenzoic acid or derivatives - Benzamide - 1,3-benzothiazole - Toluamide - M-toluamide - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Methoxybenzene - Toluene - Bromobenzene - Halobenzene - Alkyl aryl ether - Aryl halide - Aryl bromide - Morpholine - Oxazinane - Heteroaromatic compound - Azole - Thiazole - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Tertiary amine - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Ether - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organic oxide - Organobromide - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of the benzene ring.

External Descriptors

Not available

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