Compound Identification
SMILES
COC1=CC=C(CCN(C)[C@@H](C)COC2C3=CC=CC=C3CSC3=CC=CC=C23)C=C1
InChIKey
InChIKey=FMZUXNCVRFDPFZ-SVQMELKDSA-N
Formula
C27H31NO2S
Mass
433.61
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzothiepins
- Subclass Dibenzothiepins
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Class
Benzothiepins
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzothiepins
Subclass
Dibenzothiepins
Intermediate Tree Nodes
Not available
Direct Parent
Dibenzothiepins
Alternative Parents
Phenethylamines Phenoxy compounds Methoxybenzenes Anisoles Aralkylamines Alkylarylthioethers Alkyl aryl ethers Trialkylamines Dialkyl ethers Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dibenzothiepin - Phenethylamine - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Aryl thioether - Alkylarylthioether - Aralkylamine - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Tertiary aliphatic amine - Tertiary amine - Ether - Dialkyl ether - Thioether - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as dibenzothiepins. These are compounds containing a dibenzothiepin moiety, which consists of two benzene connected by a thiepine ring.
External Descriptors
Not available