Compound Identification
SMILES
COC[C@@H]1CCCN1C(=O)C1=NN(C(C)=C)C2=C1SC(NC(=O)C1=CC=C(CN)C=C1)=N2
InChIKey
InChIKey=HQQAEISYHBAOJH-INIZCTEOSA-N
Formula
C22H26N6O3S
Mass
454.55
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 Benzamides
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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
Benzamides
Alternative Parents
2-heteroaryl carboxamides Benzoyl derivatives Benzylamines N-acylpyrrolidines Phenylmethylamines Pyrazole-5-carboxamides Aralkylamines Heteroaromatic compounds Tertiary carboxylic acid amides Thiazoles Amino acids and derivatives Secondary carboxylic acid amides Azacyclic compounds Dialkyl ethers Monoalkylamines Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzamide - 2-heteroaryl carboxamide - Phenylmethylamine - N-acylpyrrolidine - Pyrazole-5-carboxamide - Benzoyl - Benzylamine - Aralkylamine - Thiazole - Tertiary carboxylic acid amide - Pyrrolidine - Pyrazole - Azole - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Ether - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Primary aliphatic amine - Primary amine - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring.
External Descriptors
Not available