Compound Identification
SMILES
Cl.COC1=C(CCCN2CCCC2)C=CC(=C1)N1CCC2=C(SC(=N2)C2=CC=C(Cl)C=C2)C1=O
InChIKey
InChIKey=FFTUSZNKQPGNIW-UHFFFAOYSA-N
Formula
C26H29Cl2N3O2S
Mass
518.5
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Phenylpropylamines
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenylpropylamines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpropylamines
Alternative Parents
Methoxyanilines Anisoles Methoxybenzenes 2-heteroaryl carboxamides Phenoxy compounds Thiazolecarboxylic acids and derivatives Aralkylamines Alkyl aryl ethers Chlorobenzenes N-alkylpyrrolidines Aryl chlorides Tertiary carboxylic acid amides Heteroaromatic compounds Trialkylamines Lactams Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Hydrochlorides Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylpropylamine - Methoxyaniline - 2-heteroaryl carboxamide - Anisole - Phenoxy compound - Phenol ether - Thiazolecarboxylic acid or derivatives - Methoxybenzene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aralkylamine - N-alkylpyrrolidine - Aryl chloride - Aryl halide - Heteroaromatic compound - Thiazole - Tertiary carboxylic acid amide - Azole - Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - Amino acid or derivatives - Lactam - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organohalogen compound - Organic nitrogen compound - Amine - Hydrochloride - Hydrocarbon derivative - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpropylamines. These are compounds containing a phenylpropylamine moiety, which consists of a phenyl group substituted at the third carbon by an propan-1-amine.
External Descriptors
Not available