Structure Information
Structure

Compound Identification

SMILES

BrC1=CC=CC(=C1)C(N1CCCNCC1)C1=CC2=CC=CC=C2S1

InChIKey

InChIKey=ZJVAZGOBUGPXPX-UHFFFAOYSA-N

Formula

C20H21BrN2S

Mass

401.37

Export to:

JSON SDF CSV

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

2,3,5-trisubstituted thiophenes Bromobenzenes Aralkylamines 1,4-diazepanes Aryl bromides Heteroaromatic compounds Trialkylamines Dialkylamines Azacyclic compounds Organobromides Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

1-benzothiophene - 2,3,5-trisubstituted thiophene - 1,4-diazepane - Bromobenzene - Diazepane - Halobenzene - Aralkylamine - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Thiophene - Tertiary amine - Tertiary aliphatic amine - Secondary amine - Azacycle - Secondary aliphatic amine - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Amine - Organic nitrogen 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

Previous Back Next