Compound Identification
SMILES
CCNC(=O)NC1=C(C(=O)N2CCN(CC2)SC2=CN=C(Cl)N=C2)C2=CC=CC=C2S1
InChIKey
InChIKey=WGYRXKNWHYUEHK-UHFFFAOYSA-N
Formula
C20H21ClN6O2S2
Mass
477.0
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzothiophenes
- Subclass 1-benzothiophenes
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Class
Benzothiophenes
-
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 2-halopyrimidines Piperazines Aryl chlorides Benzenoids Vinylogous amides Tertiary carboxylic acid amides Heteroaromatic compounds Ureas Sulfenyl compounds Organosulfenic acid amides Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-benzothiophene - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - 2-halopyrimidine - Halopyrimidine - Aryl chloride - Aryl halide - Pyrimidine - 1,4-diazinane - Benzenoid - Piperazine - Tertiary carboxylic acid amide - Heteroaromatic compound - Thiophene - Vinylogous amide - Carboxamide group - Urea - Carboxylic acid derivative - Azacycle - Sulfenyl compound - Organosulfenic acid amide - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Carbonyl group - 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