Compound Identification
SMILES
CCN1C(=S)SC(C1=O)=C1SC2=CC=CC=C2N1CCOC(=O)C1=CC=C(C=C1)C1=NC(=NC(=N1)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl
InChIKey
InChIKey=YBWHWENNVXPNRE-UHFFFAOYSA-N
Formula
C26H17Cl6N5O3S3
Mass
756.33
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
Benzothiazoles Aryl thioethers Benzoyl derivatives Vinylogous thioesters Thiazolidinethiones 1,3,5-triazines Vinylogous amides Thiazoles Heteroaromatic compounds Cyclic dithiocarbamic acid esters Carboxylic acid esters Azacyclic compounds Hydrocarbon derivatives Organochlorides Organic oxides Amines Alkyl chlorides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - Benzo-thiazole - 1,2-benzothiazole - 1,3-benzothiazole - Aryl thioether - Benzoyl - Thiazolidinethione - Triazine - Vinylogous thioester - 1,3,5-triazine - Dithiocarbamic acid ester - Vinylogous amide - Heteroaromatic compound - Thiazolidine - Thiazole - Cyclic dithiocarbamic acid ester - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Alkyl halide - Organochloride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organosulfur compound - Organic nitrogen compound - Amine - Alkyl chloride - 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