Compound Identification
SMILES
O=C(NC(=S)NC1=CC=CC(=C1)N1C(=O)C(CC2=CC=CC=C2)=NC2=C1N=CC=C2)C1=CC=CC=C1
InChIKey
InChIKey=XAUUAYWRBUJFDJ-UHFFFAOYSA-N
Formula
C28H21N5O2S
Mass
491.57
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
N-phenylthioureas
- Level 5 N-acyl-phenylthioureas
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Subclass
N-phenylthioureas
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
N-phenylthioureas
Intermediate Tree Nodes
Not available
Direct Parent
N-acyl-phenylthioureas
Alternative Parents
Pyridopyrazines Benzoic acids and derivatives Benzoyl derivatives Pyridines and derivatives Pyrazines Heteroaromatic compounds Thioureas Lactams Carboxylic acids and derivatives Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-phenylthiourea - Pyridopyrazine - Benzoic acid or derivatives - Benzoyl - Pyrazine - Pyridine - Heteroaromatic compound - Thiourea - Lactam - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-phenylthioureas. These are thiourea derivatives where one nitrogen atom of the urea group is linked to a phenyl group and the other is acylated.
External Descriptors
Not available