Compound Identification
SMILES
CCN1C(=O)\C(SC1=NC1=C(NC)C=CC(=C1)C#N)=C1\SC2=CC=CC=C2N1C
InChIKey
InChIKey=GDNRXRHTEAPBSD-GYWPSCGRSA-N
Formula
C21H19N5OS2
Mass
421.54
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzothiazoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzothiazoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzothiazoles
Alternative Parents
Aniline and substituted anilines Aryl thioethers Benzonitriles Phenylalkylamines Secondary alkylarylamines Vinylogous thioesters Thiazoles Thiazolidines Vinylogous amides Isothioureas Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Nitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzo-thiazole - 1,2-benzothiazole - 1,3-benzothiazole - Aryl thioether - Benzonitrile - Phenylalkylamine - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Vinylogous thioester - Benzenoid - Vinylogous amide - Thiazolidine - Thiazole - Amino acid or derivatives - Isothiourea - Azacycle - Carboxylic acid derivative - Organic 1,3-dipolar compound - Carbonitrile - Nitrile - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Organic nitrogen compound - Carbonyl group - Amine - Organic oxygen compound - Cyanide - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom).
External Descriptors
Not available