Compound Identification
SMILES
COC1=CC=C(C=C1)C(=O)CCC(=O)N1CCC(CC1)C1=NC(=CS1)C(=O)NC1CCN(CC2=CC=CC=C2)C1
InChIKey
InChIKey=PGVNUOYUIMXPQN-UHFFFAOYSA-N
Formula
C31H36N4O4S
Mass
560.71
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
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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 N-acylpiperidines Thiazolecarboxamides 2-heteroaryl carboxamides Phenylmethylamines Phenoxy compounds Anisoles Methoxybenzenes Aryl alkyl ketones Benzylamines Benzoyl derivatives 2,4-disubstituted thiazoles Alkyl aryl ethers Aralkylamines N-alkylpyrrolidines Tertiary carboxylic acid amides Heteroaromatic compounds Amino acids and derivatives Secondary carboxylic acid amides Trialkylamines Azacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Butyrophenone - N-acyl-piperidine - Phenoxy compound - 2-heteroaryl carboxamide - Anisole - Phenol ether - Methoxybenzene - Phenylmethylamine - Aryl alkyl ketone - Thiazolecarboxylic acid or derivatives - Benzylamine - Benzoyl - Thiazolecarboxamide - Alkyl aryl ether - Aralkylamine - 2,4-disubstituted 1,3-thiazole - Monocyclic benzene moiety - Piperidine - Benzenoid - N-alkylpyrrolidine - Pyrrolidine - Heteroaromatic compound - Azole - Tertiary carboxylic acid amide - Thiazole - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Ether - Amine - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic 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