Structure Information
Structure

Compound Identification

SMILES

CC1=C(C=NC2=CC=C(SCC(O)=O)C=C2)C=CC(=C1)N(CCCl)CCCl

InChIKey

InChIKey=APSVSHCAGBBHHR-UHFFFAOYSA-N

Formula

C20H22Cl2N2O2S

Mass

425.37

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic nitrogen compounds

Class

Organonitrogen compounds

Subclass

Nitrogen mustard compounds

Intermediate Tree Nodes

Not available

Direct Parent

Nitrogen mustard compounds

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Aryl thioether - Nitrogen mustard - Tertiary aliphatic/aromatic amine - Thiophenol ether - Dialkylarylamine - Aminotoluene - Aniline or substituted anilines - Toluene - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Amino acid or derivatives - Shiff base - Tertiary amine - Amino acid - Thioether - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Aldimine - Organic 1,3-dipolar compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Alkyl halide - Organic oxygen compound - Organohalogen compound - Imine - Organochloride - Organooxygen compound - Carbonyl group - Organosulfur compound - Hydrocarbon derivative - Alkyl chloride - Amine - Organic oxide - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as nitrogen mustard compounds. These are compounds having two beta-haloalkyl groups bound to a nitrogen atom.

External Descriptors

Not available

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