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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic nitrogen compounds
-
Class
Organonitrogen compounds
- Subclass Nitrogen mustard compounds
-
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
Dialkylarylamines Aniline and substituted anilines Amino acids and derivatives Sulfenyl compounds Dialkylthioethers Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
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