Structure Information
Structure

Compound Identification

SMILES

CC12CC(CC(C)(C)C1)N(CN1C(=O)\C(=N\NC(=O)CSC3=NC4=CC=CC=C4O3)C3=C1C=CC(Br)=C3)C2

InChIKey

InChIKey=KDBOCECLKIZFHX-FEZSWGLMSA-N

Formula

C28H30BrN5O3S

Mass

596.54

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzoxazoles

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Benzoxazoles

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzoxazole - Indole or derivatives - Aryl thioether - Alkylarylthioether - Azepane - Aryl bromide - Benzenoid - N-alkylpyrrolidine - Aryl halide - Heteroaromatic compound - Azole - Tertiary carboxylic acid amide - Pyrrolidine - Oxazole - Lactam - Carboxamide group - Amino acid or derivatives - Tertiary amine - Thioether - Sulfenyl compound - Carboxylic acid derivative - Azacycle - Oxacycle - Amine - Organohalogen compound - Organobromide - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzoxazoles. These are organic compounds containing a benzene fused to an oxazole ring Oxazole is five-membered aromatic ring with a nitrogen and an oxygen atoms at the 1- and 3-position, respectively.

External Descriptors

Not available

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