Compound Identification
SMILES
FC1=CC=CC=C1NC(=S)N1CCC2(CCN(C2)C(=O)CCC(=O)C2=CC3=C(OCCCO3)C=C2)CC1
InChIKey
InChIKey=PSGNYBWOUYKKQL-UHFFFAOYSA-N
Formula
C28H32FN3O4S
Mass
525.64
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Butyrophenones
-
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
Azaspirodecane derivatives N-phenylthioureas Aryl alkyl ketones N-acylpyrrolidines Fluorobenzenes Alkyl aryl ethers Piperidines Aryl fluorides Tertiary carboxylic acid amides Thioureas Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Butyrophenone - N-phenylthiourea - Azaspirodecane - N-acylpyrrolidine - Aryl ketone - Aryl alkyl ketone - Fluorobenzene - Alkyl aryl ether - Halobenzene - Piperidine - Aryl fluoride - Aryl halide - Tertiary carboxylic acid amide - Pyrrolidine - Ketone - Thiourea - Carboxamide group - Oxacycle - Azacycle - Carboxylic acid derivative - Ether - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - 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