Compound Identification
SMILES
CCNC1=C(C=C(C=C1)N=C1S\C(C(=O)N1CC1=CC=CC=C1)=C1\SC2=C(C=C(OCC(N)=O)C=C2)N1C)C#N
InChIKey
InChIKey=BCFUEKROJMVSNE-NDFCUDCASA-N
Formula
C29H26N6O3S2
Mass
570.69
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 Phenol ethers Phenylalkylamines Alkyl aryl ethers Secondary alkylarylamines Vinylogous thioesters Thiazoles Thiazolidines Vinylogous amides Amino acids and derivatives Isothioureas Primary carboxylic acid amides Nitriles Azacyclic compounds Propargyl-type 1,3-dipolar organic 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 - Phenol ether - Alkyl aryl ether - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Vinylogous thioester - Benzenoid - Vinylogous amide - Thiazolidine - Thiazole - Amino acid or derivatives - Carboxamide group - Isothiourea - Primary carboxylic acid amide - Secondary amine - Propargyl-type 1,3-dipolar organic compound - Nitrile - Carbonitrile - Organic 1,3-dipolar compound - Ether - Carboxylic acid derivative - Azacycle - Organooxygen compound - Carbonyl group - Amine - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen 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