Compound Identification
SMILES
CC(O)CNC(=O)C1=CC=C(SSC2=CC=C(C=C2)C(=O)NCC(C)O)C=C1
InChIKey
InChIKey=WKYJNXRFNDGVSK-UHFFFAOYSA-N
Formula
C20H24N2O4S2
Mass
420.54
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
P-sulfanylbenzoic acids and derivatives
Alternative Parents
Benzamides Benzoyl derivatives Secondary carboxylic acid amides Secondary alcohols Organic disulfides Sulfenyl compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
P-sulfanylbenzoic acid or derivatives - Benzamide - Benzoyl - Carboxamide group - Organic disulfide - Secondary alcohol - Secondary carboxylic acid amide - Carboxylic acid derivative - Sulfenyl compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Alcohol - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as p-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 4, respectively.
External Descriptors
Not available