Compound Identification
SMILES
O=C(CSC1=NC2=CC=CC=C2C(=O)N1CC1CCCO1)C1=CC=C(C=C1)C1CCCCC1
InChIKey
InChIKey=RWSNAPCXWADREL-UHFFFAOYSA-N
Formula
C27H30N2O3S
Mass
462.61
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
Quinazolines Aryl alkyl ketones Benzoyl derivatives Alkylarylthioethers Pyrimidones Oxolanes Heteroaromatic compounds Lactams Dialkyl ethers Azacyclic compounds Oxacyclic compounds Sulfenyl compounds Aldehydes Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Diazanaphthalene - Quinazoline - Aryl thioether - Benzoyl - Aryl alkyl ketone - Pyrimidone - Alkylarylthioether - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Oxolane - Heteroaromatic compound - Lactam - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Thioether - Sulfenyl compound - Organonitrogen compound - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - Organopnictogen compound - Aldehyde - Organic oxide - 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