Compound Identification
SMILES
CC1=C(NC(=S)NC(=O)C2=CC3=C(OCO3)C=C2)C=CC(I)=C1
InChIKey
InChIKey=SOMNYBDWSYSJKV-UHFFFAOYSA-N
Formula
C16H13IN2O3S
Mass
440.26
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
N-phenylthioureas
- Level 5 N-acyl-phenylthioureas
-
Subclass
N-phenylthioureas
-
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
Benzodioxoles Toluenes Iodobenzenes Aryl iodides Thioureas Oxacyclic compounds Carboxylic acids and derivatives Acetals Organopnictogen compounds Organonitrogen compounds Organoiodides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-phenylthiourea - Benzodioxole - Halobenzene - Iodobenzene - Toluene - Aryl halide - Aryl iodide - Thiourea - Acetal - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organoiodide - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - 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