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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic nitrogen compounds
-
Class
Organonitrogen compounds
- Subclass Nitrogen mustard compounds
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Class
Organonitrogen compounds
-
Superclass
Organic nitrogen compounds
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
Thiophenol ethers Aminotoluenes Aniline and substituted anilines Dialkylarylamines Alkylarylthioethers Shiff bases Amino acids Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Monocarboxylic acids and derivatives Organic oxides Carbonyl compounds Alkyl chlorides Organochlorides Hydrocarbon derivatives
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