Compound Identification
SMILES
CCC(NC(=O)C1=CC(SC)=CC2=C1OC(C)C2)C1CCCN1
InChIKey
InChIKey=FUNZOVDZQMQQKB-UHFFFAOYSA-N
Formula
C18H26N2O2S
Mass
334.48
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
M-sulfanylbenzoic acids and derivatives
Alternative Parents
Coumarans Thiophenol ethers Alkylarylthioethers Alkyl aryl ethers Pyrrolidines Secondary carboxylic acid amides Amino acids and derivatives Sulfenyl compounds Oxacyclic compounds Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
M-sulfanylbenzoic acid or derivatives - Coumaran - Aryl thioether - Thiophenol ether - Alkyl aryl ether - Alkylarylthioether - Pyrrolidine - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Secondary aliphatic amine - Ether - Oxacycle - Secondary amine - Azacycle - Thioether - Organoheterocyclic compound - Sulfenyl compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Organic nitrogen compound - Amine - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as m-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 3, respectively.
External Descriptors
Not available