Compound Identification
SMILES
CC1CCCCN1C1=NN=C(NC(=O)C2=NOC(=C2)C2=CC=C(Br)C=C2)S1
InChIKey
InChIKey=YWDBPOCLUIMCRE-UHFFFAOYSA-N
Formula
C18H18BrN5O2S
Mass
448.34
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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Subclass
Carboxylic acid derivatives
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Level 5
Carboxylic acid amides
- Level 6 2-heteroaryl carboxamides
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Level 5
Carboxylic acid amides
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Subclass
Carboxylic acid derivatives
-
Class
Carboxylic acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Carboxylic acid derivatives
Intermediate Tree Nodes
Carboxylic acid amides
Direct Parent
2-heteroaryl carboxamides
Alternative Parents
Dialkylarylamines Bromobenzenes 2-amino-5-substituted-1,3,4-thiadiazoles Piperidines Aryl bromides Isoxazoles Heteroaromatic compounds Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-heteroaryl carboxamide - Dialkylarylamine - Bromobenzene - Halobenzene - 2-amino-5-substituted-1,3,4-thiadiazole - 2-amino-1,3,4-thiadiazole - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Piperidine - Benzenoid - Azole - Thiadiazole - Heteroaromatic compound - Isoxazole - Secondary carboxylic acid amide - Oxacycle - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Organobromide - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 2-heteroaryl carboxamides. These are compounds containing a heteroaromatic ring that carries a carboxamide group.
External Descriptors
Not available