Compound Identification
SMILES
Cl.Cl.CCCSC1=CC2=C(C=C1)N(COC(=O)C1=CC=C(CN)C=C1)C(NC(=O)OC)=N2
InChIKey
InChIKey=XPKIVAYMPZMJEW-UHFFFAOYSA-N
Formula
C21H26Cl2N4O4S
Mass
501.42
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Benzimidazoles
- Subclass 2-benzimidazolylcarbamic acid esters
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Class
Benzimidazoles
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzimidazoles
Subclass
2-benzimidazolylcarbamic acid esters
Intermediate Tree Nodes
Not available
Direct Parent
2-benzimidazolylcarbamic acid esters
Alternative Parents
Benzoic acid esters Thiophenol ethers Phenylmethylamines Benzoyl derivatives Benzylamines Alkylarylthioethers Aralkylamines N-substituted imidazoles Heteroaromatic compounds Carbamate esters Carboxylic acid esters Sulfenyl compounds Azacyclic compounds Carbonyl compounds Hydrochlorides Monoalkylamines Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-benzimidazolylcarbamic acid ester - Benzoate ester - Benzoic acid or derivatives - Benzylamine - Aryl thioether - Phenylmethylamine - Benzoyl - Thiophenol ether - Alkylarylthioether - Aralkylamine - N-substituted imidazole - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Carbamic acid ester - Imidazole - Azole - Amino acid or derivatives - Carboxylic acid ester - Thioether - Carboxylic acid derivative - Sulfenyl compound - Azacycle - Amine - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Primary amine - Hydrochloride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 2-benzimidazolylcarbamic acid esters. These are aromatic heteropolycyclic compounds that contain a carbamic acid ester group, which is N-linked to the C2-atom of a benzimidazole moiety.
External Descriptors
Not available