Compound Identification
SMILES
COC1=CC=C(CSC2=CC=CC=C2C(=O)C2CNCCN2CC2=CC3=C(OCO3)C=C2)C=C1
InChIKey
InChIKey=AVSYVJDMNLWQOY-UHFFFAOYSA-N
Formula
C27H28N2O4S
Mass
476.59
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 Alkyl-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
Alkyl-phenylketones
Alternative Parents
Benzodioxoles Thiophenol ethers Phenoxy compounds Anisoles Methoxybenzenes Aryl alkyl ketones Benzoyl derivatives Alkyl aryl ethers Alkylarylthioethers N-alkylpiperazines Aralkylamines Vinylogous thioesters Beta-amino ketones Alpha-amino ketones Trialkylamines Acetals Sulfenyl compounds Oxacyclic compounds Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Aldehydes Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Benzodioxole - Phenoxy compound - Aryl thioether - Anisole - Benzoyl - Phenol ether - Thiophenol ether - Methoxybenzene - Aryl alkyl ketone - Alkyl aryl ether - N-alkylpiperazine - Aralkylamine - Alkylarylthioether - Monocyclic benzene moiety - Beta-aminoketone - 1,4-diazinane - Piperazine - Vinylogous thioester - Benzenoid - Alpha-aminoketone - Tertiary amine - Tertiary aliphatic amine - Thioether - Secondary amine - Oxacycle - Organoheterocyclic compound - Sulfenyl compound - Ether - Azacycle - Secondary aliphatic amine - Acetal - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Aldehyde - Organic nitrogen compound - Organonitrogen compound - Amine - Organopnictogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors
Not available