Compound Identification
SMILES
CCC1=CC2=C(N=C(OC[C@H](O)CO)N=C2S1)N1CCN(CC1)C(=O)C1=CC(Br)=CC=C1
InChIKey
InChIKey=WTMFNWQFOWDSMK-MRXNPFEDSA-N
Formula
C22H25BrN4O4S
Mass
521.43
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazinanes
-
Subclass
Piperazines
- Level 5 N-arylpiperazines
-
Subclass
Piperazines
-
Class
Diazinanes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazinanes
Subclass
Piperazines
Intermediate Tree Nodes
Not available
Direct Parent
N-arylpiperazines
Alternative Parents
3-halobenzoic acids and derivatives Thienopyrimidines Benzamides 2,3,5-trisubstituted thiophenes Benzoyl derivatives Dialkylarylamines Alkyl aryl ethers Aminopyrimidines and derivatives Bromobenzenes Aryl bromides Imidolactams Tertiary carboxylic acid amides Heteroaromatic compounds 1,2-diols Secondary alcohols Azacyclic compounds Organic oxides Organobromides Primary alcohols Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-arylpiperazine - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Thienopyrimidine - Benzoyl - 2,3,5-trisubstituted thiophene - Dialkylarylamine - Alkyl aryl ether - Aminopyrimidine - Bromobenzene - Halobenzene - Imidolactam - Benzenoid - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Thiophene - Tertiary carboxylic acid amide - Heteroaromatic compound - Secondary alcohol - 1,2-diol - Carboxamide group - Azacycle - Ether - Carboxylic acid derivative - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organic nitrogen compound - Amine - Alcohol - Primary alcohol - Organobromide - Organonitrogen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl group.
External Descriptors
Not available