Compound Identification
SMILES
CCNC1=C(C=C(C=C1)C(C)=O)N=C1S\C(C(=O)N1CC1=CC=CC=C1)=C1/SC(C)=C(N1C)C1=CC=CC=C1
InChIKey
InChIKey=MJXRQKZYFABWIX-NYESBAPFSA-N
Formula
C31H30N4O2S2
Mass
554.73
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
Acetophenones Phenylalkylamines Aniline and substituted anilines Aryl alkyl ketones Benzoyl derivatives Secondary alkylarylamines Vinylogous thioesters Vinylogous amides Thiazolines Thiazolidines Thiazoles Thioenol ethers Amino acids and derivatives Isothioureas Propargyl-type 1,3-dipolar organic compounds Enamines Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Acetophenone - Benzoyl - Phenylalkylamine - Aniline or substituted anilines - Aryl alkyl ketone - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Vinylogous thioester - Benzenoid - Thiazole - Vinylogous amide - Thiazolidine - Meta-thiazoline - Amino acid or derivatives - Isothiourea - Thioenolether - Organoheterocyclic compound - Secondary amine - Azacycle - Enamine - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic nitrogen 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