Compound Identification
SMILES
ClC1=CC(Cl)=C(\C=C2/CCCC3C(NC(=S)N=C23)C2=C(Cl)C=C(Cl)C=C2)C=C1
InChIKey
InChIKey=BUOMOEBRYWSOAI-XYOKQWHBSA-N
Formula
C21H16Cl4N2S
Mass
470.23
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
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Class
Diarylheptanoids
- Subclass Linear diarylheptanoids
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Class
Diarylheptanoids
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Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Diarylheptanoids
Subclass
Linear diarylheptanoids
Intermediate Tree Nodes
Not available
Direct Parent
Linear diarylheptanoids
Alternative Parents
Quinazolines Dichlorobenzenes Pyrimidinethiones Hydropyrimidines Aryl chlorides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organosulfur compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Linear 1,7-diphenylheptane skeleton - Quinazoline - 1,3-dichlorobenzene - Chlorobenzene - Halobenzene - Pyrimidinethione - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Hydropyrimidine - 1,2,5,6-tetrahydropyrimidine - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organic nitrogen compound - Organosulfur compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as linear diarylheptanoids. These are diarylheptanoids with an open heptane chain. The two aromatic rings are linked only by the heptane chain.
External Descriptors
Not available