Compound Identification
SMILES
COC1=C(C=CC(SC)=C1)C(=O)N1CCOC(COC2=NC(OCC=C)=NC(OCC=C)=N2)C1
InChIKey
InChIKey=UNPLYFLTXJYBLF-UHFFFAOYSA-N
Formula
C23H28N4O6S
Mass
488.56
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 Morpholine carboxylic acids and derivatives Alkoxy-S-triazines Anisoles Thiophenol ethers Benzoyl derivatives Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Alkylarylthioethers Tertiary carboxylic acid amides Heteroaromatic compounds Azacyclic compounds Dialkyl ethers Oxacyclic compounds Sulfenyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
P-sulfanylbenzoic acid or derivatives - Morpholine-4-carboxylic acid or derivatives - Benzamide - Phenol ether - Thiophenol ether - Methoxybenzene - Phenoxy compound - Benzoyl - Alkoxy-s-triazine - Anisole - Aryl thioether - Alkylarylthioether - Alkyl aryl ether - Triazine - Morpholine - Oxazinane - 1,3,5-triazine - Tertiary carboxylic acid amide - Heteroaromatic compound - Carboxamide group - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic 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