Compound Identification
SMILES
Cl.Cl.COC1=CC=CC(=C1)C1=CC2=C(C=C1)C(C=CC1=CC=CC=C1SC1=CC=C(Cl)C=C1)=NCCN2C
InChIKey
InChIKey=ANWFNYVZUVXGCR-UHFFFAOYSA-N
Formula
C31H29Cl3N2OS
Mass
584.0
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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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
1,4-benzodiazepines Diarylthioethers Thiophenol ethers Styrenes Phenoxy compounds Anisoles Methoxybenzenes Dialkylarylamines Alkyl aryl ethers Chlorobenzenes Aryl chlorides Ketimines Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Hydrochlorides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Linear 1,7-diphenylheptane skeleton - Benzodiazepine - 1,4-benzodiazepine - Diarylthioether - Anisole - Phenoxy compound - Aryl thioether - Phenol ether - Methoxybenzene - Styrene - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Thiophenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Tertiary amine - Ketimine - Azacycle - Sulfenyl compound - Thioether - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Ether - Organic 1,3-dipolar compound - Imine - Organic nitrogen compound - Amine - Organic oxygen compound - Hydrochloride - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur 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