Compound Identification
SMILES
NC(=O)CSC1=CC=CC=C1C(=O)N1CCOCC1
InChIKey
InChIKey=BPNKETQDLVHUAS-UHFFFAOYSA-N
Formula
C13H16N2O3S
Mass
280.34
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 Morpholine carboxylic acids and derivatives Benzoyl derivatives Thiophenol ethers Alkylarylthioethers Vinylogous thioesters Tertiary carboxylic acid amides Primary carboxylic acid amides Amino acids and derivatives Tertiary amines Sulfenyl compounds Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
O-sulfanylbenzoic acid or derivatives - Benzamide - Morpholine-4-carboxylic acid or derivatives - Aryl thioether - Benzoyl - Thiophenol ether - Alkylarylthioether - Vinylogous thioester - Morpholine - Oxazinane - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Primary carboxylic acid amide - Tertiary amine - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Amine - 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