Compound Identification
SMILES
CN1CC[C@@H]2[C@@H](C1)C1=C(C=CC(C)=C1)N2C(=S)NC(=O)C1=CC=C(Br)C=C1
InChIKey
InChIKey=PIZSXFVKTPLNGH-PKOBYXMFSA-N
Formula
C21H22BrN3OS
Mass
444.39
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Halobenzoic acids and derivatives
Direct Parent
4-halobenzoic acids and derivatives
Alternative Parents
Indoles and derivatives Benzoyl derivatives Bromobenzenes Aralkylamines Piperidines Aryl bromides Trialkylamines Thioureas Amino acids and derivatives Azacyclic compounds Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-halobenzoic acid or derivatives - Indole or derivatives - Benzoyl - Bromobenzene - Halobenzene - Aralkylamine - Piperidine - Aryl bromide - Aryl halide - Tertiary aliphatic amine - Thiourea - Tertiary amine - Amino acid or derivatives - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organohalogen compound - Organic oxygen compound - Organobromide - Organonitrogen compound - Amine - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.
External Descriptors
Not available