Compound Identification
SMILES
C[C@@H]1S[C@H](CC2=CC3=C(OCO3)C=C2C1=O)C(=O)N(C)C1=CC=C(CN2CCOCC2)C=C1
InChIKey
InChIKey=WXCDTXPFUKVHQT-QMHKHESXSA-N
Formula
C25H28N2O5S
Mass
468.57
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
Anilides Benzodioxoles Phenylmethylamines Aryl alkyl ketones Benzylamines Aralkylamines Morpholines Tertiary carboxylic acid amides Trialkylamines Amino acids and derivatives Acetals Oxacyclic compounds Azacyclic compounds Dialkylthioethers Dialkyl ethers Hydrocarbon derivatives Aldehydes Organopnictogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiepin - Benzodioxole - Anilide - Phenylmethylamine - Aryl ketone - Benzylamine - Aryl alkyl ketone - Aralkylamine - Morpholine - Monocyclic benzene moiety - Benzenoid - Oxazinane - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Ketone - Acetal - Oxacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Azacycle - Dialkylthioether - Thioether - Aldehyde - Carbonyl group - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - 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