Compound Identification
SMILES
COC1=C(OCC2=CC=CC=C2)C=C2SC(N(C)C)=C(C(=O)C3=CC=C(OCCN4CCCCC4)C=C3)C2=C1
InChIKey
InChIKey=JJGVDOSSXQLJCO-UHFFFAOYSA-N
Formula
C32H36N2O4S
Mass
544.71
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Aryl ketones
-
Level 7
Phenylketones
- Level 8 Aryl-phenylketones
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Level 7
Phenylketones
-
Level 6
Aryl ketones
-
Level 5
Ketones
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones - Aryl ketones - Phenylketones
Direct Parent
Aryl-phenylketones
Alternative Parents
2-amino-3-benzoylthiophenes 1-benzothiophenes 3,4,5-trisubstituted-2-aminothiophenes Thiophene carboxylic acids and derivatives Phenoxy compounds Anisoles Benzoyl derivatives Dialkylarylamines Alkyl aryl ethers Piperidines Vinylogous amides Heteroaromatic compounds Trialkylamines Azacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-amino-3-benzoylthiophene - Aryl-phenylketone - 3-aroylthiophene - Benzothiophene - 3,4,5-trisubstituted-2-aminothiophene - 1-benzothiophene - Anisole - Benzoyl - Phenol ether - Thiophene carboxylic acid or derivatives - Phenoxy compound - Dialkylarylamine - Alkyl aryl ether - 2-aminothiophene - Benzenoid - Monocyclic benzene moiety - Piperidine - Heteroaromatic compound - Vinylogous amide - Thiophene - Tertiary aliphatic amine - Tertiary amine - Ether - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as aryl-phenylketones. These are aromatic compounds containing a ketone substituted by one aryl group, and a phenyl group.
External Descriptors
Not available