Compound Identification
SMILES
CC1=CC=C(C=C1)N1C(=S)NC(=O)\C(=C/NC(CCS(C)(=O)=O)C(O)=O)C1=O
InChIKey
InChIKey=WTYHFSQUQQGAGB-FMIVXFBMSA-N
Formula
C17H19N3O6S2
Mass
425.47
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
Alpha amino acids Thiobarbituric acid derivatives Toluenes Thia fatty acids Diazinanes Vinylogous amides Sulfones Thioureas Amino acids Allylamines Monocarboxylic acids and derivatives Enamines Dialkylamines Carboxylic acids Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid - Alpha-amino acid or derivatives - N-phenylthiourea - Thiobarbiturate - Toluene - Thia fatty acid - 1,3-diazinane - Fatty acyl - Sulfone - Sulfonyl - Vinylogous amide - Amino acid or derivatives - Amino acid - Thiourea - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Allylamine - Enamine - Monocarboxylic acid or derivatives - Secondary amine - Azacycle - Organoheterocyclic compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Amine - Aromatic heteromonocyclic 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