Compound Identification
SMILES
OP(O)(O)=O.CCSC1=CC(C(=O)NCC2CCCN2CC)=C(OC)C=C1
InChIKey
InChIKey=TVUDHJIMDCAZEW-UHFFFAOYSA-N
Formula
C17H29N2O6PS
Mass
420.46
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
M-sulfanylbenzoic acids and derivatives
Alternative Parents
Benzamides Anisoles Benzoyl derivatives Methoxybenzenes Phenoxy compounds Thiophenol ethers Alkylarylthioethers Alkyl aryl ethers N-alkylpyrrolidines Organic phosphoric acids and derivatives Amino acids and derivatives Trialkylamines Secondary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
M-sulfanylbenzoic acid or derivatives - Benzamide - Phenol ether - Phenoxy compound - Aryl thioether - Thiophenol ether - Anisole - Benzoyl - Methoxybenzene - Alkyl aryl ether - Alkylarylthioether - Organic phosphoric acid derivative - N-alkylpyrrolidine - Pyrrolidine - Carboxamide group - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Sulfenyl compound - Thioether - Organic oxygen compound - Amine - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as m-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 3, respectively.
External Descriptors
Not available