Compound Identification
SMILES
OC(=O)C1=CC=C(CC2=CC3=C(SC(=N3)C(=O)NCC3=CC=CC=C3)N=C2)C=C1
InChIKey
InChIKey=LTMHUYAJXWVKJB-UHFFFAOYSA-N
Formula
C22H17N3O3S
Mass
403.46
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acids
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Subclass
Benzoic acids and derivatives
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzoic acids
Alternative Parents
Thiazolecarboxamides Benzoyl derivatives 2-heteroaryl carboxamides Pyridines and derivatives Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoic acid - 2-heteroaryl carboxamide - Benzoyl - Thiazolecarboxamide - Thiazolecarboxylic acid or derivatives - Pyridine - Azole - Heteroaromatic compound - Thiazole - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.
External Descriptors
Not available