Compound Identification
SMILES
O=C(CCC1=CN=CC=C1)NCCCCN1CCC(CC1)=C1C2=C(SC=C2)SCC2=CC=CC=C12
InChIKey
InChIKey=ABZAKAHITMFTMC-UHFFFAOYSA-N
Formula
C29H33N3OS2
Mass
503.72
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzothiepins
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzothiepins
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzothiepins
Alternative Parents
Alkylarylthioethers Pyridines and derivatives Piperidines Fatty amides Benzenoids Thiophenes Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiepin - Aryl thioether - Alkylarylthioether - Fatty amide - Piperidine - Pyridine - Fatty acyl - Benzenoid - Heteroaromatic compound - Thiophene - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Thioether - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Carbonyl group - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzothiepins. These are organic compounds containing a benzene fused to a thiepine ring (a seven-membered ring with six carbon atoms and one sulfur atom).
External Descriptors
Not available