Compound Identification
SMILES
CC1=CC(CNC(=O)[C@H](CC2=CC=CC=C2)N2C=C(COC3=CC4=C(NC(=S)S4)C=C3)N=N2)=C(C)C=C1
InChIKey
InChIKey=XHXOTGYEZMNLPI-VWLOTQADSA-N
Formula
C28H27N5O2S2
Mass
529.68
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Phenethylamines
- Level 5 Amphetamines and derivatives
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Subclass
Phenethylamines
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenethylamines
Intermediate Tree Nodes
Not available
Direct Parent
Amphetamines and derivatives
Alternative Parents
Benzothiazoles p-Xylenes Phenol ethers Alkyl aryl ethers Fatty amides Triazoles Thiazoles Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organosulfur compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Amphetamine or derivatives - 1,3-benzothiazole - P-xylene - Xylene - Phenol ether - Alkyl aryl ether - Fatty amide - Fatty acyl - Azole - Heteroaromatic compound - 1,2,3-triazole - Thiazole - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic 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