Compound Identification
SMILES
COC1=CC(CN2CCN(CC2)C(=O)C2=CC3=CC(OC)=C(OC)C=C3SCC2)=CC(OC)=C1OC
InChIKey
InChIKey=FWEHSUIZQVLLDZ-UHFFFAOYSA-N
Formula
C27H34N2O6S
Mass
514.64
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
Anisoles Benzylamines Phenylmethylamines Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Alkylarylthioethers Aralkylamines N-alkylpiperazines Tertiary carboxylic acid amides Amino acids and derivatives Trialkylamines Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiepin - Phenoxy compound - Aryl thioether - Anisole - Benzylamine - Phenol ether - Methoxybenzene - Phenylmethylamine - Alkyl aryl ether - Aralkylamine - Alkylarylthioether - N-alkylpiperazine - Monocyclic benzene moiety - 1,4-diazinane - Benzenoid - Piperazine - Tertiary carboxylic acid amide - Tertiary aliphatic amine - Amino acid or derivatives - Tertiary amine - Carboxamide group - Azacycle - Thioether - Ether - Carboxylic acid derivative - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Amine - Organonitrogen compound - Organooxygen compound - 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