Compound Identification
SMILES
CCN1C(SC2=CC=CC=C12)=C1SC(=NC2=C(C)C=C(I)C=C2)N(CC=C)C1=O
InChIKey
InChIKey=HODVERDVJBPLFM-UHFFFAOYSA-N
Formula
C22H20IN3OS2
Mass
533.45
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
Aryl thioethers Toluenes Iodobenzenes Vinylogous thioesters Aryl iodides Vinylogous amides Thiazolidines Thiazoles Isothioureas Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxylic acids and derivatives Hydrocarbon derivatives Organopnictogen compounds Carbonyl compounds Organonitrogen compounds Organoiodides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzo-thiazole - 1,2-benzothiazole - 1,3-benzothiazole - Aryl thioether - Iodobenzene - Halobenzene - Toluene - Aryl halide - Aryl iodide - Monocyclic benzene moiety - Vinylogous thioester - Benzenoid - Vinylogous amide - Thiazole - Thiazolidine - Isothiourea - Organic 1,3-dipolar compound - Carboxylic acid derivative - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organohalogen compound - Organoiodide - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - 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