Compound Identification
SMILES
COCCNC(=O)CSC1=CC=CC=C1C(=O)N[C@@H]1CCSC2=CC=CC=C12
InChIKey
InChIKey=WZKZGIRWLQVYPI-QGZVFWFLSA-N
Formula
C21H24N2O3S2
Mass
416.55
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
Thiochromanes Benzamides 1-benzothiopyrans Thiophenol ethers Benzoyl derivatives Alkylarylthioethers Vinylogous thioesters Thiopyrans Secondary carboxylic acid amides Sulfenyl compounds Dialkyl ethers Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
O-sulfanylbenzoic acid or derivatives - Thiochromane - Benzamide - 1-benzothiopyran - Benzothiopyran - Aryl thioether - Benzoyl - Thiophenol ether - Alkylarylthioether - Vinylogous thioester - Thiopyran - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Dialkyl ether - Ether - Organoheterocyclic compound - Sulfenyl compound - Thioether - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic oxide - Aromatic heteropolycyclic 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