Compound Identification
SMILES
COC(=O)C1=CC(NC(=S)N2CCC(CC2)C2=NC(=CS2)C2=CC3=C(OCCO3)C=C2)=CC=C1
InChIKey
InChIKey=FXQNXCWHPAETST-UHFFFAOYSA-N
Formula
C25H25N3O4S2
Mass
495.61
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
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Subclass
Benzoic acids and derivatives
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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 Benzo-1,4-dioxanes Benzoyl derivatives Alkyl aryl ethers 2,4-disubstituted thiazoles Piperidines Para dioxins Methyl esters Heteroaromatic compounds Thioureas Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzo-1,4-dioxane - Benzodioxane - Benzoate ester - N-phenylthiourea - Benzoyl - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Piperidine - Para-dioxin - Azole - Heteroaromatic compound - Methyl ester - Thiazole - Thiourea - Carboxylic acid ester - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organosulfur compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic 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