Compound Identification
SMILES
CN1CCN(CC1)C(=S)N(C1CCCCC1)C(=O)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=WDSIZBBDZCEKOQ-UHFFFAOYSA-N
Formula
C19H26ClN3OS
Mass
379.95
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
Benzoyl derivatives N-methylpiperazines Chlorobenzenes Aryl chlorides Trialkylamines Thioureas Amino acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-halobenzoic acid or derivatives - Benzoyl - Chlorobenzene - Halobenzene - N-methylpiperazine - N-alkylpiperazine - Aryl chloride - Aryl halide - Piperazine - 1,4-diazinane - Tertiary aliphatic amine - Thiourea - Tertiary amine - Amino acid or derivatives - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organopnictogen compound - Organochloride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Amine - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic 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