Structure Information
Structure

Compound Identification

SMILES

CC(SC(C)C(=O)N\N=C\C1=CC=C(C=C1)N(CCCl)CCCl)C(=O)NN=CC1=CC=C(C=C1)N(CCCl)CCCl

InChIKey

InChIKey=KANYMTGRGORSOA-DXPCEPSBSA-N

Formula

C28H36Cl4N6O2S

Mass

662.5

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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

Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Nitrogen mustard - Monocyclic benzene moiety - Benzenoid - Amino acid or derivatives - Tertiary amine - Carboxylic acid derivative - Dialkylthioether - Sulfenyl compound - Thioether - Alkyl chloride - Organooxygen compound - Organochloride - Organohalogen compound - Organosulfur compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Amine - Alkyl halide - 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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