Compound Identification
SMILES
CC1=CC=C(NC(=O)CSC2=CC=CC=C2C(=O)N2CCN(CC2)[C@@H]2CCS(=O)(=O)C2)C=C1
InChIKey
InChIKey=KIPYQMXTRJBPOS-HXUWFJFHSA-N
Formula
C24H29N3O4S2
Mass
487.63
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
Anilides Benzamides Thiophenol ethers Benzoyl derivatives N-arylamides Alkylarylthioethers Toluenes N-alkylpiperazines Vinylogous thioesters Thiolanes Tertiary carboxylic acid amides Sulfones Trialkylamines Amino acids and derivatives Secondary carboxylic acid amides Azacyclic compounds Sulfenyl compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
O-sulfanylbenzoic acid or derivatives - Benzamide - Anilide - Thiophenol ether - Aryl thioether - Benzoyl - N-arylamide - Toluene - N-alkylpiperazine - Alkylarylthioether - Piperazine - 1,4-diazinane - Vinylogous thioester - Sulfone - Thiolane - Tertiary carboxylic acid amide - Tertiary amine - Carboxamide group - Amino acid or derivatives - Tertiary aliphatic amine - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organic nitrogen compound - Amine - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - 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