Compound Identification
SMILES
COC(=O)C1=CC=CC=C1NC(=S)N(CCC#N)C1=CC=CC=C1
InChIKey
InChIKey=WPBKIOXUUBVERF-UHFFFAOYSA-N
Formula
C18H17N3O2S
Mass
339.41
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
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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
N-phenylthioureas Benzoyl derivatives Vinylogous amides Methyl esters Thioureas Nitriles Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzoate ester - N-phenylthiourea - Benzoyl - Methyl ester - Vinylogous amide - Carboxylic acid ester - Thiourea - Nitrile - Carbonitrile - Carboxylic acid derivative - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Cyanide - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic 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