Compound Identification
SMILES
COC1=CC(C(=O)SCCC2=CC=CC=C2N)=C(CC=C)C=C1
InChIKey
InChIKey=CHHUBFHESRCGTK-UHFFFAOYSA-N
Formula
C19H21NO2S
Mass
327.44
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzoic acids and derivatives
Alternative Parents
Thiobenzoic acids and derivatives Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Aniline and substituted anilines Alkyl aryl ethers Thioesters Carbothioic S-esters Amino acids and derivatives Sulfenyl compounds Primary amines Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzoic acid or derivatives - Thiobenzoic acid or derivatives - Anisole - Benzoyl - Phenol ether - Phenoxy compound - Aniline or substituted anilines - Methoxybenzene - Alkyl aryl ether - Thiocarboxylic acid ester - Carbothioic s-ester - Amino acid or derivatives - Sulfenyl compound - Thiocarboxylic acid or derivatives - Carboxylic acid derivative - Ether - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Amine - Primary amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acids and derivatives. These are organic compounds containing a carboxylic acid substituent attached to a benzene ring.
External Descriptors
Not available