Compound Identification
SMILES
CCN(NC(=O)C1=CC=CC=C1SCC(=O)N(C)C)C1=CC=C(C)C=C1
InChIKey
InChIKey=BQWIIXSFTSPDCO-UHFFFAOYSA-N
Formula
C20H25N3O2S
Mass
371.5
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Sulfanylbenzoic acids and derivatives
Direct Parent
O-sulfanylbenzoic acids and derivatives
Alternative Parents
Thiophenol ethers Phenylhydrazines Benzoyl derivatives Toluenes Alkylarylthioethers Vinylogous thioesters Tertiary carboxylic acid amides Carboxylic acid hydrazides Sulfenyl compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
O-sulfanylbenzoic acid or derivatives - Benzoyl - Aryl thioether - Phenylhydrazine - Thiophenol ether - Toluene - Alkylarylthioether - Vinylogous thioester - Tertiary carboxylic acid amide - Carboxylic acid hydrazide - Carboxamide group - Thioether - Carboxylic acid derivative - Sulfenyl compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as o-sulfanylbenzoic acids and derivatives. These are benzoic acids (or derivatives) which bear a sulfanyl group (R-SH) attached to the benzene ring at positions 1 and 2, respectively.
External Descriptors
Not available