Compound Identification
SMILES
CN1CCN(CC\C=C2\C3=C(SC=C3)SCC3=C2C=C(Cl)C=C3)CC1
InChIKey
InChIKey=WERLHUAEQIXIID-YPEHOIGNSA-N
Formula
C20H23ClN2S2
Mass
390.99
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
N-methylpiperazines Alkylarylthioethers Benzenoids Aryl chlorides Thiophenes Heteroaromatic compounds Trialkylamines Azacyclic compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiepin - Aryl thioether - N-methylpiperazine - N-alkylpiperazine - Alkylarylthioether - Aryl chloride - Aryl halide - 1,4-diazinane - Piperazine - Benzenoid - Thiophene - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Thioether - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Hydrocarbon derivative - Organic nitrogen 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