Compound Identification
SMILES
COC1=CC=C(C=C1)C(=O)CCC(=O)N1CCC(CC1)C1=NC(=CS1)C(=O)NCC1=CSC2=CC=CC=C12
InChIKey
InChIKey=ILPRKZPNIGXOPJ-UHFFFAOYSA-N
Formula
C29H29N3O4S2
Mass
547.69
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
Butyrophenones 1-benzothiophenes N-acylpiperidines 2-heteroaryl carboxamides Anisoles Aryl alkyl ketones Benzoyl derivatives Thiazolecarboxamides Methoxybenzenes Phenoxy compounds 2,4-disubstituted thiazoles Alkyl aryl ethers Heteroaromatic compounds Thiophenes Tertiary carboxylic acid amides Secondary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Butyrophenone - Benzothiophene - N-acyl-piperidine - 1-benzothiophene - Anisole - 2-heteroaryl carboxamide - Benzoyl - Phenoxy compound - Phenol ether - Thiazolecarboxamide - Thiazolecarboxylic acid or derivatives - Aryl alkyl ketone - Methoxybenzene - Alkyl aryl ether - 2,4-disubstituted 1,3-thiazole - Monocyclic benzene moiety - Piperidine - Benzenoid - Thiazole - Tertiary carboxylic acid amide - Azole - Heteroaromatic compound - Thiophene - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - 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