Compound Identification
SMILES
COC1=C(O)C=C(I)C(CNC(=S)NC(COC(=O)C(C)(C)C)CC2=CC=C(C=C2)C(C)(C)C)=C1
InChIKey
InChIKey=SFFSOTYJSAGGPC-UHFFFAOYSA-N
Formula
C27H37IN2O4S
Mass
612.57
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
Methoxyphenols Phenylpropanes Phenoxy compounds Anisoles Methoxybenzenes M-iodophenols 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Iodobenzenes Aryl iodides Thioureas Carboxylic acid esters Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides Organoiodides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Amphetamine or derivatives - Methoxyphenol - Phenylpropane - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - 3-halophenol - 3-iodophenol - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Phenol - Iodobenzene - Aryl halide - Aryl iodide - Carboxylic acid ester - Thiourea - Ether - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organoiodide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organohalogen compound - Aromatic homomonocyclic 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