Compound Identification
SMILES
CCNC1=C(C=C(C=C1)C#N)N=C1S\C(C(=O)N1CC1=CC=CC=C1)=C1/SC2=C(C=C(O)C=C2)N1C
InChIKey
InChIKey=QDSJFELRBQCPLY-FMVFUUHJSA-N
Formula
C27H23N5O2S2
Mass
513.63
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
Phenylalkylamines Aniline and substituted anilines Aryl thioethers Benzonitriles Secondary alkylarylamines 1-hydroxy-2-unsubstituted benzenoids Vinylogous thioesters Vinylogous amides Thiazolidines Thiazoles Amino acids and derivatives Isothioureas Propargyl-type 1,3-dipolar organic compounds Nitriles Azacyclic compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-benzothiazole - Benzo-thiazole - 1,2-benzothiazole - Aniline or substituted anilines - Phenylalkylamine - Aryl thioether - Benzonitrile - Secondary aliphatic/aromatic amine - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Vinylogous thioester - Monocyclic benzene moiety - Vinylogous amide - Thiazole - Thiazolidine - 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