Compound Identification
SMILES
CCNC(=O)NC1=C(C(=O)N2CCN(CC2)SC2=CC(Br)=C(N=C2)N(CC)CC)C2=CC=CC=C2S1
InChIKey
InChIKey=YGRBCLPIPCTAJY-UHFFFAOYSA-N
Formula
C25H31BrN6O2S2
Mass
591.59
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
-
Class
Benzothiophenes
- Subclass 1-benzothiophenes
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Class
Benzothiophenes
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzothiophenes
Subclass
1-benzothiophenes
Intermediate Tree Nodes
Not available
Direct Parent
1-benzothiophenes
Alternative Parents
Thiophene carboxamides Dialkylarylamines Aminopyridines and derivatives Piperazines Aryl bromides Imidolactams Benzenoids Vinylogous amides Tertiary carboxylic acid amides Heteroaromatic compounds Ureas Sulfenyl compounds Organosulfenic acid amides Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-benzothiophene - Dialkylarylamine - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - Aminopyridine - Aryl bromide - Aryl halide - 1,4-diazinane - Piperazine - Pyridine - Imidolactam - Benzenoid - Heteroaromatic compound - Tertiary carboxylic acid amide - Vinylogous amide - Thiophene - Urea - Carboxamide group - Organosulfenic acid amide - Azacycle - Sulfenyl compound - Carboxylic acid derivative - Organic nitrogen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic oxide - Amine - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1-benzothiophenes. These are aromatic heterocyclic compound containing the Benzo[b]thiophene ring system.
External Descriptors
Not available