Structure Information
Structure

Compound Identification

SMILES

CC(C)[C@H](NC(=O)C1=C(Cl)C=C(C=C1)C1=CC=C(NC2=NC3=C(S2)C=C(C=C3)C(C)C)C=C1)C(O)=O

InChIKey

InChIKey=ZVTCJUPTGREOOW-VWLOTQADSA-N

Formula

C28H28ClN3O3S

Mass

522.06

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Biphenyls and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Chlorinated biphenyls

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Valine or derivatives - Hippuric acid - Hippuric acid or derivatives - Chlorinated biphenyl - Alpha-amino acid or derivatives - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Cumene - 1,3-benzothiazole - Benzoyl - Aniline or substituted anilines - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - 1,3-thiazol-2-amine - Azole - Heteroaromatic compound - Vinylogous halide - Thiazole - Amino acid - Carboxamide group - Secondary carboxylic acid amide - Amino acid or derivatives - Monocarboxylic acid or derivatives - Azacycle - Secondary amine - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Organochloride - Amine - Hydrocarbon derivative - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organohalogen compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as chlorinated biphenyls. These are organic compounds containing at least one chlorine atom attached to either benzene ring of the biphenyl moiety.

External Descriptors

Not available

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