Structure Information
Structure

Compound Identification

SMILES

CCC1N(CCC2=C1NC1=CC=CC=C21)C(=S)NCC1=CC(Cl)=C(Cl)C=C1

InChIKey

InChIKey=JHUSZHOTHMCIFG-UHFFFAOYSA-N

Formula

C21H21Cl2N3S

Mass

418.38

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Alkaloids and derivatives

Class

Harmala alkaloids

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Harmala alkaloids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Harman - Beta-carboline - Pyridoindole - 3-alkylindole - Indole - Indole or derivatives - 1,2-dichlorobenzene - Chlorobenzene - Halobenzene - Benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyrrole - Heteroaromatic compound - Thiourea - Organoheterocyclic compound - Azacycle - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as harmala alkaloids. These are compounds with a structure based on harmaline, harmine, harmalol, harman or a derivative of those parents. These parents are beta-carbolines, consisting of a pyrimidine fused to the pyrrole moiety of an indole to form a pyrido[3,4-b]indole.

External Descriptors

Not available

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