Compound Identification
SMILES
COC1=C(C=CC(SC)=C1)C(=O)NNC(=O)C1COC2=CC=CC=C2O1
InChIKey
InChIKey=UPACXODVWOQRJW-UHFFFAOYSA-N
Formula
C18H18N2O5S
Mass
374.41
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
Benzo-1,4-dioxanes Anisoles Thiophenol ethers Benzoyl derivatives Methoxybenzenes Phenoxy compounds Alkylarylthioethers Alkyl aryl ethers Para dioxins Carboxylic acid hydrazides Oxacyclic compounds Sulfenyl compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzo-1,4-dioxane - Benzodioxane - P-sulfanylbenzoic acid or derivatives - Phenoxy compound - Aryl thioether - Anisole - Benzoyl - Methoxybenzene - Thiophenol ether - Phenol ether - Alkyl aryl ether - Alkylarylthioether - Para-dioxin - Carboxylic acid hydrazide - Carboxylic acid derivative - Oxacycle - Ether - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic 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