Compound Identification
SMILES
CC(=O)N1N=C2C(C1C1=CC=CC=C1)C(C1=CC=C(Cl)C=C1)C1(C(C3=CC=C(Cl)C=C3)\C2=C\C2=CC=CC=C2)C(=O)N(C2=CC=CC=C2)C(=S)N(C2=CC=CC=C2)C1=O
InChIKey
InChIKey=VXXLSTMOQJSSSO-DFGGBBJBSA-N
Formula
C49H36Cl2N4O3S
Mass
831.81
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Diarylheptanoids
- Subclass Linear diarylheptanoids
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Class
Diarylheptanoids
-
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
N-phenylthioureas Thiobarbituric acid derivatives Chlorobenzenes Diazinanes Aryl chlorides Pyrazolines Acetamides Thioureas N-alkylated hydrazones Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Linear 1,7-diphenylheptane skeleton - N-phenylthiourea - Thiobarbiturate - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - 1,3-diazinane - Benzenoid - Acetamide - Pyrazoline - N-alkylated hydrazone - Thiourea - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen 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