Compound Identification
SMILES
FC1=C(Cl)C=C(C=C1)C(=O)NC1=NC(COC2=CC=C(CCCCN3C=CN=N3)C=C2)=CS1
InChIKey
InChIKey=HUPFAKLDNQKILF-UHFFFAOYSA-N
Formula
C23H21ClFN5O2S
Mass
485.96
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Phenylbutylamines
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenylbutylamines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylbutylamines
Alternative Parents
3-halobenzoic acids and derivatives 4-halobenzoic acids and derivatives Benzamides Phenoxy compounds Phenol ethers Benzoyl derivatives 2,4-disubstituted thiazoles Alkyl aryl ethers Chlorobenzenes Fluorobenzenes Aryl chlorides Aryl fluorides Triazoles Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organic oxides Organochlorides Organofluorides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylbutylamine - 3-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Phenol ether - Chlorobenzene - Fluorobenzene - Halobenzene - Alkyl aryl ether - 2,4-disubstituted 1,3-thiazole - Aryl halide - Aryl fluoride - Aryl chloride - Azole - Thiazole - 1,2,3-triazole - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylbutylamines. These are compounds containing a phenylbutylamine moiety, which consists of a phenyl group substituted at the fourth carbon by an butan-1-amine.
External Descriptors
Not available