Compound Identification
SMILES
CCNC1=NC2=NN=C(SCC(=O)NC3=CC=CC=C3C(=O)OC)N2C(NCC)=N1
InChIKey
InChIKey=WTRGXZGIWYZLLU-UHFFFAOYSA-N
Formula
C18H22N8O3S
Mass
430.49
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Acylaminobenzoic acid and derivatives
Alternative Parents
Benzoic acid esters Anilides 1,3,5-triazine-2,4-diamines Benzoyl derivatives N-arylamides Alkylarylthioethers N-aliphatic s-triazines 1,3,5-triazines Methyl esters Heteroaromatic compounds Triazoles Vinylogous amides Secondary carboxylic acid amides Azacyclic compounds Sulfenyl compounds Hydrocarbon derivatives Carbonyl compounds Amines Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Acylaminobenzoic acid or derivatives - Benzoate ester - Anilide - N-arylamide - Benzoyl - 2,4-diamine-s-triazine - Aryl thioether - Amino-1,3,5-triazine - Alkylarylthioether - N-aliphatic s-triazine - Aminotriazine - Triazine - 1,3,5-triazine - Heteroaromatic compound - Vinylogous amide - Methyl ester - 1,2,4-triazole - Azole - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Sulfenyl compound - Thioether - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Amine - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as acylaminobenzoic acid and derivatives. These are derivatives of amino benzoic acid derivatives where the amine group is N-acylated.
External Descriptors
Not available