Compound Identification
SMILES
COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C1=CC(CC#N)=CS1
InChIKey
InChIKey=BTJVRLJIZSTOKJ-UHFFFAOYSA-N
Formula
C16H12N4O3S
Mass
340.36
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzimidazoles
- Subclass 2-benzimidazolylcarbamic acid esters
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Class
Benzimidazoles
-
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
Thiophene carboxylic acids and derivatives Aryl ketones Benzenoids Imidazoles Heteroaromatic compounds Carbamate esters Nitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-benzimidazolylcarbamic acid ester - Thiophene carboxylic acid or derivatives - Aryl ketone - Benzenoid - Azole - Imidazole - Thiophene - Heteroaromatic compound - Carbamic acid ester - Ketone - Carbonitrile - Nitrile - Azacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Cyanide - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - 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