Compound Identification
SMILES
COC(=O)C1=CC=C(CNC(=O)N(CC2=CSC=C2)C2CCN(CC2)C(C)CCNC(=O)C2=C(C)N=C(Cl)C=C2C)C=C1
InChIKey
InChIKey=KAIVMOQMBLDWJS-UHFFFAOYSA-N
Formula
C32H40ClN5O4S
Mass
626.21
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
-
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 acid esters
Alternative Parents
Nicotinamides Benzoyl derivatives 2-halopyridines Methylpyridines Piperidines Aryl chlorides Methyl esters Heteroaromatic compounds Thiophenes Trialkylamines Amino acids and derivatives Ureas Secondary carboxylic acid amides Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoate ester - Nicotinamide - Pyridine carboxylic acid or derivatives - Benzoyl - 2-halopyridine - Methylpyridine - Aryl chloride - Aryl halide - Piperidine - Pyridine - Heteroaromatic compound - Methyl ester - Thiophene - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Urea - Tertiary aliphatic amine - Secondary carboxylic acid amide - Tertiary amine - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organochloride - Organohalogen compound - Amine - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
External Descriptors
Not available