Structure Information
Structure

Compound Identification

SMILES

CN1N=C(C)C(CN2CCCN(CC2)C(=O)CC2=CSC3=C2C=C(Cl)C=C3)=C1Cl

InChIKey

InChIKey=KKTILSYZTAOQQQ-UHFFFAOYSA-N

Formula

C21H24Cl2N4OS

Mass

451.41

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzothiophenes

Subclass

1-benzothiophenes

Intermediate Tree Nodes

Not available

Direct Parent

1-benzothiophenes

Alternative Parents

Aralkylamines 1,4-diazepanes Benzenoids Aryl chlorides Thiophenes Tertiary carboxylic acid amides Pyrazoles Heteroaromatic compounds Trialkylamines Amino acids and derivatives Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

1-benzothiophene - 1,4-diazepane - Diazepane - Aralkylamine - Benzenoid - Aryl chloride - Aryl halide - Thiophene - Tertiary carboxylic acid amide - Pyrazole - Azole - Heteroaromatic compound - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - 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

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