Compound Identification
SMILES
CC1=C(C=C(Cl)C=C1)N1C(SCC2=NC(=CS2)C(=O)N2CCC(CC3=CC=CC=C3)CC2)=NN=C1C1=CN=CC=C1
InChIKey
InChIKey=ANQUSOQEASSBBU-UHFFFAOYSA-N
Formula
C31H29ClN6OS2
Mass
601.18
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Piperidines
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Subclass
Benzylpiperidines
- Level 5 4-benzylpiperidines
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Subclass
Benzylpiperidines
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Class
Piperidines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Piperidines
Subclass
Benzylpiperidines
Intermediate Tree Nodes
Not available
Direct Parent
4-benzylpiperidines
Alternative Parents
Pyridyl-1,2,4-triazoles Phenyl-1,2,4-triazoles N-acylpiperidines Thiazolecarboxamides 2-heteroaryl carboxamides Toluenes 2,4-disubstituted thiazoles Alkylarylthioethers Chlorobenzenes Aryl chlorides Tertiary carboxylic acid amides Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organooxygen compounds Organochlorides Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-benzylpiperidine - Phenyltriazole - Phenyl-1,2,4-triazole - Pyridyltriazole - Pyridyl-1,2,4-triazole - N-acyl-piperidine - Thiazolecarboxamide - Thiazolecarboxylic acid or derivatives - 2-heteroaryl carboxamide - Aryl thioether - Chlorobenzene - Halobenzene - 2,4-disubstituted 1,3-thiazole - Toluene - Alkylarylthioether - Aryl halide - Benzenoid - Monocyclic benzene moiety - Pyridine - Aryl chloride - Azole - 1,2,4-triazole - Triazole - Thiazole - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Thioether - Sulfenyl compound - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organic nitrogen compound - Organosulfur compound - Organic oxide - Organic oxygen compound - Organooxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 4-benzylpiperidines. These are organic compounds containing a benzyl group attached to the 4-position of a piperidine.
External Descriptors
Not available