Compound Identification
SMILES
CCCCN(CC)C(=O)C1=C(OC)C=C(SC)C=C1
InChIKey
InChIKey=ODZMRNXQLGTVPA-UHFFFAOYSA-N
Formula
C15H23NO2S
Mass
281.41
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
Benzamides Thiophenol ethers Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Alkylarylthioethers Alkyl aryl ethers Tertiary carboxylic acid amides Sulfenyl compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
P-sulfanylbenzoic acid or derivatives - Benzamide - Phenoxy compound - Aryl thioether - Anisole - Benzoyl - Methoxybenzene - Thiophenol ether - Phenol ether - Alkyl aryl ether - Alkylarylthioether - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Ether - Sulfenyl compound - Thioether - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organopnictogen compound - Aromatic homomonocyclic 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