Compound Identification
SMILES
COC1=CC=C(C=C1)N1C(SCCCC(=O)N2CCN(C(C)C2)C(=O)C2=CC(=C(C)C=C2)[N+]([O-])=O)=NN=C1C1=CC=CC=C1
InChIKey
InChIKey=BCAPWWKIIZBZSZ-UHFFFAOYSA-N
Formula
C32H34N6O5S
Mass
614.72
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
Phenyl-1,2,4-triazoles Benzamides Methoxyanilines Nitrobenzenes Nitrotoluenes Benzoyl derivatives Methoxybenzenes Nitroaromatic compounds Anisoles Phenoxy compounds Alkylarylthioethers Alkyl aryl ethers Piperazines Tertiary carboxylic acid amides Heteroaromatic compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Sulfenyl compounds Organic oxoazanium compounds Organonitrogen compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyltriazole - Phenyl-1,2,4-triazole - N,n-dialkyl-p-toluamide - Nitrobenzene - Methoxyaniline - Nitrotoluene - Benzoic acid or derivatives - Benzamide - Phenoxy compound - Phenol ether - Aryl thioether - Nitroaromatic compound - Anisole - Methoxybenzene - Benzoyl - Alkylarylthioether - Alkyl aryl ether - 1,4-diazinane - Piperazine - 1,2,4-triazole - Triazole - Tertiary carboxylic acid amide - Azole - Heteroaromatic compound - Organic nitro compound - Carboxamide group - C-nitro compound - Sulfenyl compound - Thioether - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organic salt - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic oxygen compound - Organic oxide - Organic cation - 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