Compound Identification
SMILES
CSC1=CC=CC=C1C(=O)N1CCCSC[C@@H]1CN1CCOCC1
InChIKey
InChIKey=SRBWAVGNBKKSNL-HNNXBMFYSA-N
Formula
C18H26N2O2S2
Mass
366.54
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
O-sulfanylbenzoic acids and derivatives
Alternative Parents
Benzamides Thiophenol ethers Benzoyl derivatives Alkylarylthioethers Vinylogous thioesters Morpholines Tertiary carboxylic acid amides Amino acids and derivatives Trialkylamines Dialkylthioethers Dialkyl ethers Azacyclic compounds Oxacyclic compounds Sulfenyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
O-sulfanylbenzoic acid or derivatives - Benzamide - Aryl thioether - Benzoyl - Thiophenol ether - Alkylarylthioether - Morpholine - Oxazinane - Vinylogous thioester - Tertiary carboxylic acid amide - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carboxamide group - Dialkylthioether - Sulfenyl compound - Azacycle - Thioether - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Amine - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Aromatic heteromonocyclic 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