Compound Identification
SMILES
CCCN(CCC)C(=O)C1=CC(C)=CC(=C1)C(=O)N[C@@H](CC1=CC(F)=CC(F)=C1)[C@@H](O)CSC1=NNC(=N1)C1=CC=CS1
InChIKey
InChIKey=XZPSSYGORKNHRY-UIOOFZCWSA-N
Formula
C31H35F2N5O3S2
Mass
627.77
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Toluenes
-
Level 5
Toluamides
-
Level 6
m-Toluamides
- Level 7 N,N-dialkyl-m-toluamides
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Level 6
m-Toluamides
-
Level 5
Toluamides
-
Subclass
Toluenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Toluenes
Intermediate Tree Nodes
Toluamides - m-Toluamides
Direct Parent
N,N-dialkyl-m-toluamides
Alternative Parents
Amphetamines and derivatives Benzamides Benzoyl derivatives Alkylarylthioethers Fluorobenzenes Aryl fluorides Triazoles Thiophenes Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Secondary alcohols Azacyclic compounds Sulfenyl compounds Organofluorides Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N,n-dialkyl-m-toluamide - Amphetamine or derivatives - Benzamide - Benzoic acid or derivatives - Aryl thioether - Benzoyl - Fluorobenzene - Halobenzene - Alkylarylthioether - Aryl fluoride - Aryl halide - Heteroaromatic compound - 1,2,4-triazole - Thiophene - Tertiary carboxylic acid amide - Azole - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Sulfenyl compound - Thioether - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organosulfur compound - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as n,n-dialkyl-m-toluamides. These are aromatic that contain a m-toluamide, where the carboxamide group is N- substituted with two alkyl chains.
External Descriptors
Not available