Compound Identification
SMILES
COC1=CC(C)=C(SC2=CN=C(N)S2)C=C1C(=O)N1CCN(CC1)C(=O)OC(C)(C)C
InChIKey
InChIKey=PPNJOURHHRKQDS-UHFFFAOYSA-N
Formula
C21H28N4O4S2
Mass
464.6
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Toluenes
-
Level 5
Toluamides
-
Level 6
p-Toluamides
- Level 7 N,N-dialkyl-p-toluamides
-
Level 6
p-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 - p-Toluamides
Direct Parent
N,N-dialkyl-p-toluamides
Alternative Parents
Diarylthioethers M-sulfanylbenzoic acids and derivatives Benzamides Piperazine carboxylic acids Anisoles Thiophenol ethers Benzoyl derivatives Methoxybenzenes Phenoxy compounds Alkyl aryl ethers 2,5-disubstituted thiazoles 2-amino-1,3-thiazoles Heteroaromatic compounds Tertiary carboxylic acid amides Carbamate esters Sulfenyl compounds Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Primary amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N,n-dialkyl-p-toluamide - Diarylthioether - M-sulfanylbenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Piperazine-1-carboxylic acid - Phenoxy compound - Aryl thioether - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Thiophenol ether - 2,5-disubstituted 1,3-thiazole - Alkyl aryl ether - 1,4-diazinane - 1,3-thiazol-2-amine - Piperazine - Tertiary carboxylic acid amide - Carbamic acid ester - Thiazole - Azole - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Thioether - Sulfenyl compound - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Ether - Carbonyl group - Primary amine - Organosulfur compound - Hydrocarbon derivative - Amine - Organooxygen compound - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as n,n-dialkyl-p-toluamides. These are aromatic that contain a m-toluamide, where the carboxamide group is N- substituted with two alkyl chains.
External Descriptors
Not available