Compound Identification
SMILES
Cl.CCN(CC)CCN(C(=O)C1=CC(=CC=C1)[N+]([O-])=O)C1=NC2=C(S1)C=C(OC)C=C2
InChIKey
InChIKey=DXDJUOGPTDODEZ-UHFFFAOYSA-N
Formula
C21H25ClN4O4S
Mass
464.97
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 Nitrobenzenes Anisoles Benzoyl derivatives Nitroaromatic compounds Alkyl aryl ethers Thiazoles Heteroaromatic compounds Tertiary carboxylic acid amides Amino acids and derivatives Trialkylamines Azacyclic compounds Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzamide - Benzoic acid or derivatives - 1,3-benzothiazole - Nitrobenzene - Anisole - Nitroaromatic compound - Benzoyl - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Azole - Tertiary carboxylic acid amide - Thiazole - Tertiary aliphatic amine - Organic nitro compound - Tertiary amine - Amino acid or derivatives - C-nitro compound - Carboxamide group - Azacycle - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Ether - Carboxylic acid derivative - Organic salt - Organooxygen compound - Organic oxide - Organic oxygen compound - Amine - Hydrochloride - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organic cation - 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