Compound Identification
SMILES
CC1=CC=CC(=C1)C(=O)N[C@H](NC(=S)NC1=CC=CC(=C1)C([O-])=O)C(Cl)(Cl)Cl
InChIKey
InChIKey=IEIHTIDGUMPXQR-MRXNPFEDSA-M
Formula
C18H15Cl3N3O3S
Mass
459.75
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- 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-phenylthioureas
Alternative Parents
m-Toluamides Benzoic acids Benzamides Benzoyl derivatives Thioureas Secondary carboxylic acid amides Carboxylic acid salts Carboxylic acids Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides Organic anions
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-phenylthiourea - Benzamide - Benzoic acid or derivatives - Benzoic acid - M-toluamide - Toluamide - Benzoyl - Toluene - Thiourea - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid salt - Carboxylic acid derivative - Carboxylic acid - Alkyl chloride - Alkyl halide - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic anion - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-phenylthioureas. These are compounds containing a N-phenylthiourea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a thiourea group.
External Descriptors
Not available