Compound Identification
SMILES
COC1=C2N=C(NC(=O)C3=CC=C(CN4CC[C@H](O)C4)C=C3)SC2=C(C=C1)C1=CC=CC=C1
InChIKey
InChIKey=JWUDXNHNOQVWOX-FQEVSTJZSA-N
Formula
C26H25N3O3S
Mass
459.56
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
Benzamides Anisoles Phenylmethylamines Benzoyl derivatives Benzylamines Alkyl aryl ethers Aralkylamines N-alkylpyrrolidines Thiazoles Heteroaromatic compounds Secondary alcohols Secondary carboxylic acid amides 1,2-aminoalcohols Amino acids and derivatives Trialkylamines Azacyclic compounds Organic oxides Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzamide - Benzoic acid or derivatives - 1,3-benzothiazole - Anisole - Benzoyl - Benzylamine - Phenol ether - Phenylmethylamine - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Benzenoid - N-alkylpyrrolidine - Pyrrolidine - Thiazole - Heteroaromatic compound - Azole - Secondary carboxylic acid amide - Secondary alcohol - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carboxamide group - 1,2-aminoalcohol - Ether - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Amine - Organooxygen compound - Alcohol - 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