Compound Identification
SMILES
N[C@@]1(C[C@@H](NC(=S)NC2=CC=CC=C2)C2[C@H](C12)C(O)=O)C(O)=O
InChIKey
InChIKey=CBAXDNTVGQGZNG-DNPOPVTFSA-N
Formula
C15H17N3O4S
Mass
335.38
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- 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-phenylthioureas
Alternative Parents
L-alpha-amino acids D-alpha-amino acids Dicarboxylic acids and derivatives Cyclopropanecarboxylic acids Thioureas Amino acids Carboxylic acids Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Alpha-amino acid - Alpha-amino acid or derivatives - N-phenylthiourea - D-alpha-amino acid - L-alpha-amino acid - Cyclopropanecarboxylic acid - Cyclopropanecarboxylic acid or derivatives - Dicarboxylic acid or derivatives - Amino acid - Amino acid or derivatives - Thiourea - Carboxylic acid derivative - Carboxylic acid - Organic nitrogen compound - Primary aliphatic amine - Amine - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homopolycyclic 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