Compound Identification
SMILES
CCC(C)(C)C1=CC(=C(OCCCCN=C2SC(C(=O)N2C2CCCCC2)=C2SC3=C(C=C(Cl)C=C3)N2C)C=C1)C(C)(C)CC
InChIKey
InChIKey=CBVJEJKJUOPLRE-UHFFFAOYSA-N
Formula
C37H50ClN3O2S2
Mass
668.4
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
Phenylpropanes Phenoxy compounds Phenol ethers Aryl thioethers Alkyl aryl ethers Vinylogous thioesters Aryl chlorides Vinylogous amides Thiazolidines Thiazoles Isothioureas Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboximidamides Carboxylic acids and derivatives Carbonyl compounds Organochlorides Organopnictogen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzo-thiazole - 1,2-benzothiazole - 1,3-benzothiazole - Phenylpropane - Phenoxy compound - Aryl thioether - Phenol ether - Alkyl aryl ether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Vinylogous thioester - Thiazolidine - Thiazole - Vinylogous amide - Isothiourea - Carboximidamide - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Ether - Organic nitrogen compound - Organohalogen compound - Organochloride - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - 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