Compound Identification
SMILES
CC1=CC=CC(C(=O)N(CCC2=CC=CC=C2)CC2=CC=CS2)=C1[N+]([O-])=O
InChIKey
InChIKey=HUSSGNRSGBAAEA-UHFFFAOYSA-N
Formula
C21H20N2O3S
Mass
380.46
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
-
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
Benzamides Nitrotoluenes Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Thiophenes Tertiary carboxylic acid amides Heteroaromatic compounds Tertiary amines Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organooxygen compounds Hydrocarbon derivatives Organic oxides Organic salts Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N,n-dialkyl-m-toluamide - Benzamide - Benzoic acid or derivatives - Nitrobenzene - Nitrotoluene - Nitroaromatic compound - Benzoyl - Tertiary carboxylic acid amide - Thiophene - Heteroaromatic compound - Organic nitro compound - Carboxamide group - C-nitro compound - Tertiary amine - Amino acid or derivatives - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organic nitrogen compound - Organic salt - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Amine - Organic cation - 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