Compound Identification
SMILES
CCCOCCOC1=CC=C(COC2=CC3=C(C=C2)S(=O)(=O)CCC(=C3)C(=O)NC2=CC=C(CN(C)C3CCOCC3)C=C2)C=C1
InChIKey
InChIKey=YSIFXNIYCGORLA-UHFFFAOYSA-N
Formula
C36H44N2O7S
Mass
648.82
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 Benzylamines N-arylamides Phenol ethers Phenoxy compounds Phenylmethylamines Aralkylamines Alkyl aryl ethers Oxanes Sulfones Amino acids and derivatives Trialkylamines Secondary carboxylic acid amides Oxacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiepin - Anilide - Phenoxy compound - Benzylamine - Phenol ether - Phenylmethylamine - N-arylamide - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Oxane - Benzenoid - Sulfone - Secondary carboxylic acid amide - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - Oxacycle - Ether - Dialkyl ether - Carboxylic acid derivative - Hydrocarbon derivative - Organonitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Amine - 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