Compound Identification
SMILES
CC(C)CN(C[C@@H](O)[C@H](CC1=CC=CC=C1)NC(=O)OCC1=CN=CS1)S(=O)(=O)C1=CC2=C(C=C1)N=C(NC(=O)C1CCCN(C)C1)S2
InChIKey
InChIKey=JVKYRLWPJTWKCO-RENJQWLISA-N
Formula
C33H42N6O6S3
Mass
714.92
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Phenylbutylamines
-
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
Amphetamines and derivatives Benzothiazoles Piperidinecarboxamides N-arylamides Organosulfonamides Aminosulfonyl compounds Thiazoles Carbamate esters Heteroaromatic compounds Secondary carboxylic acid amides Trialkylamines Organic carbonic acids and derivatives Secondary alcohols Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylbutylamine - Amphetamine or derivatives - 1,3-benzothiazole - 3-piperidinecarboxamide - Piperidinecarboxamide - N-arylamide - Piperidine - Organosulfonic acid amide - Azole - Heteroaromatic compound - Aminosulfonyl compound - Carbamic acid ester - Organic sulfonic acid or derivatives - Thiazole - Organosulfonic acid or derivatives - Sulfonyl - Amino acid or derivatives - Carboxamide group - Carbonic acid derivative - Secondary alcohol - Secondary carboxylic acid amide - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Alcohol - Amine - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Aromatic heteropolycyclic 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