Compound Identification
SMILES
COC1=CC=CC(C(=O)NCC(N)=O)=C1SC(C)=O
InChIKey
InChIKey=JHASCCSJNNFJQP-UHFFFAOYSA-N
Formula
C12H14N2O4S
Mass
282.31
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Benzamides
- Level 6 Hippuric acids and derivatives
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Level 5
Benzamides
-
Subclass
Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Benzamides
Direct Parent
Hippuric acids and derivatives
Alternative Parents
N-acyl-alpha amino acids and derivatives O-sulfanylbenzoic acids and derivatives Thiophenol esters Anisoles Aryl thioethers Benzoyl derivatives Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Thioesters Secondary carboxylic acid amides Primary carboxylic acid amides Carbothioic S-esters Sulfenyl compounds Carbonyl compounds Hydrocarbon derivatives Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - O-sulfanylbenzoic acid or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Thiophenol ester - Phenoxy compound - Aryl thioether - Phenol ether - Anisole - Benzoyl - Methoxybenzene - Alkyl aryl ether - Carboxamide group - Thiocarboxylic acid ester - Primary carboxylic acid amide - Carbothioic s-ester - Secondary carboxylic acid amide - Sulfenyl compound - Thiocarboxylic acid or derivatives - Carboxylic acid derivative - Ether - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as hippuric acids and derivatives. These are compounds containing a hippuric acid or a derivative, with a structure characterized the presence of a benzoyl group linked to the N-terminal of a glycine.
External Descriptors
Not available