Compound Identification
SMILES
CC(C)CC(N1C(=O)C2=CC=CC=C2N=C1C1=CC=CC=C1)C(=O)NC(=S)NC1=CC=CC=C1
InChIKey
InChIKey=QRMUNRUAKYJESN-UHFFFAOYSA-N
Formula
C27H26N4O2S
Mass
470.59
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
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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
Quinazolines Pyrimidones N-acyl amines Heteroaromatic compounds Thioureas Lactams Carboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-phenylthiourea - Quinazoline - Pyrimidone - N-acyl-amine - Pyrimidine - Heteroaromatic compound - Lactam - Thiourea - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - 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