Compound Identification
SMILES
CCN1CCCC1CNC(=O)C1=CC(=CC2=C1OC(C)C2)S(C)=O
InChIKey
InChIKey=LOGATWRFOZFEPL-UHFFFAOYSA-N
Formula
C18H26N2O3S
Mass
350.48
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
Coumarans Alkyl aryl ethers N-alkylpyrrolidines Trialkylamines Sulfoxides Secondary carboxylic acid amides Amino acids and derivatives Sulfinyl compounds Oxacyclic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
M-sulfanylbenzoic acid or derivatives - Coumaran - Alkyl aryl ether - N-alkylpyrrolidine - Pyrrolidine - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Sulfoxide - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Sulfinyl compound - Organonitrogen compound - Hydrocarbon derivative - Amine - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Aromatic heteropolycyclic 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