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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Phenethylamines
- Level 5 Amphetamines and derivatives
-
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
Nitrobenzenes Thiazolecarboxylic acids and derivatives Nitroaromatic compounds Secondary alkylarylamines 2,4-disubstituted thiazoles 4,5-disubstituted thiazoles Aminothiazoles Vinylogous amides Heteroaromatic compounds Methyl esters Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organooxygen compounds Organic salts Organic zwitterions Hydrocarbon derivatives Organic oxides
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