Compound Identification
SMILES
CC1=CC(NC(=S)NC(=O)C2=CC=CO2)=C(C)C=C1I
InChIKey
InChIKey=RAPXMRYVRKKMFH-UHFFFAOYSA-N
Formula
C14H13IN2O2S
Mass
400.23
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
-
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
p-Xylenes Furoic acid and derivatives Iodobenzenes Aryl iodides Heteroaromatic compounds Thioureas Oxacyclic compounds Carboxylic acids and derivatives Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organoiodides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-phenylthiourea - Furoic acid or derivatives - Xylene - P-xylene - Halobenzene - Iodobenzene - Aryl iodide - Aryl halide - Furan - Heteroaromatic compound - Thiourea - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organoiodide - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Aromatic heteromonocyclic 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