Compound Identification
SMILES
COC1=CC=C(C=C1)C(=O)NC(=S)NC1=CC=C(C=C1)C([O-])=O
InChIKey
InChIKey=CIHYHBDUGLFEGB-UHFFFAOYSA-M
Formula
C16H13N2O4S
Mass
329.35
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
Benzoic acids Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Alkyl aryl ethers Thioureas Carboxylic acid salts Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Organic anions
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-acyl-phenylthiourea - Benzoic acid or derivatives - Benzoic acid - Phenoxy compound - Anisole - Methoxybenzene - Benzoyl - Phenol ether - Alkyl aryl ether - Thiourea - Carboxylic acid salt - Carboxylic acid derivative - Carboxylic acid - Ether - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic anion - Aromatic homomonocyclic 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