Structure Information
Structure

Compound Identification

SMILES

ClCCN(CCCl)C1=CC=C(C=NC2=NC(=CS2)C2=CC=CC=C2)C=C1

InChIKey

InChIKey=CQWSLNNFMLSFFG-UHFFFAOYSA-N

Formula

C20H19Cl2N3S

Mass

404.35

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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 heteromonocyclic compounds

Substituents

Aniline or substituted anilines - Dialkylarylamine - Nitrogen mustard - Tertiary aliphatic/aromatic amine - 2,4-disubstituted 1,3-thiazole - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Azole - Thiazole - Shiff base - Tertiary amine - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Propargyl-type 1,3-dipolar organic compound - Aldimine - Hydrocarbon derivative - Organochloride - Organohalogen compound - Imine - Amine - Alkyl halide - Alkyl chloride - Aromatic heteromonocyclic 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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