Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=C(N[C@@H](CC2=CC=C(C=C2)[N+]([O-])=O)C2=CSC(=N2)C2=CC=CC=C2)SC=N1

InChIKey

InChIKey=XQYPYNWIXQCCSG-KRWDZBQOSA-N

Formula

C22H18N4O4S2

Mass

466.53

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Phenethylamines

Intermediate Tree Nodes

Not available

Direct Parent

Amphetamines and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Amphetamine or derivatives - Nitrobenzene - Nitroaromatic compound - Thiazolecarboxylic acid or derivatives - 2,4-disubstituted 1,3-thiazole - 4,5-disubstituted 1,3-thiazole - Secondary aliphatic/aromatic amine - 1,3-thiazolamine - Azole - Heteroaromatic compound - Thiazole - Methyl ester - Vinylogous amide - Amino acid or derivatives - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Secondary amine - Azacycle - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Organic zwitterion - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Amine - Organic salt - Organic oxide - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.

External Descriptors

Not available

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