Compound Identification
SMILES
CC1=CC=C(C(=O)CCCCCCCSC2=NC=C(CC3=CN=CC=C3)C(=O)N2)C2=CC=CC=C12
InChIKey
InChIKey=XRALMMCYKBRGAA-UHFFFAOYSA-N
Formula
C29H31N3O2S
Mass
485.65
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Butyrophenones
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Butyrophenones
Intermediate Tree Nodes
Not available
Direct Parent
Butyrophenones
Alternative Parents
Naphthalenes Aryl alkyl ketones Pyrimidones Alkylarylthioethers Pyridines and derivatives Hydropyrimidines Heteroaromatic compounds Lactams Sulfenyl compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Butyrophenone - Naphthalene - Aryl thioether - Aryl alkyl ketone - Aryl ketone - Alkylarylthioether - Pyrimidone - Hydropyrimidine - Pyridine - Pyrimidine - Heteroaromatic compound - Ketone - Lactam - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as butyrophenones. These are compounds containing 1-phenylbutan-1-one moiety.
External Descriptors
Not available