Structure Information
Structure

Compound Identification

SMILES

NCCCC(NC(=O)C1=CC(Br)=C(S1)C1=C2C=CNC2=NC=C1)C1=CC=CC=C1

InChIKey

InChIKey=WURGOIXNFGPAMJ-UHFFFAOYSA-N

Formula

C22H21BrN4OS

Mass

469.4

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Phenylbutylamines

Intermediate Tree Nodes

Not available

Direct Parent

Phenylbutylamines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Phenylbutylamine - Pyrrolopyridine - 2-heteroaryl carboxamide - 2,3,5-trisubstituted thiophene - Thiophene carboxylic acid or derivatives - Thiophene carboxamide - Aralkylamine - Aryl bromide - Aryl halide - Pyridine - Heteroaromatic compound - Thiophene - Pyrrole - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Primary aliphatic amine - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Primary amine - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as phenylbutylamines. These are compounds containing a phenylbutylamine moiety, which consists of a phenyl group substituted at the fourth carbon by an butan-1-amine.

External Descriptors

Not available

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