Compound Identification
SMILES
CCOC1=CC=CC=C1C=CC(=O)N1CCC2(CCN(C2)C(=O)CCCCC2SCC3NC(=O)NC23)CC1
InChIKey
InChIKey=ICXPRWRSVJIVEQ-UHFFFAOYSA-N
Formula
C29H40N4O4S
Mass
540.72
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Biotin and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Biotin and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Biotin and derivatives
Alternative Parents
Coumaric acids and derivatives Azaspirodecane derivatives N-acylpiperidines Thienoimidazolidines Styrenes Phenoxy compounds Phenol ethers N-acylpyrrolidines Alkyl aryl ethers Imidazolidinones Thiophenes Thiolanes Tertiary carboxylic acid amides Ureas Azacyclic compounds Dialkylthioethers Carbonyl compounds Organic oxides Hydrocarbon derivatives Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Biotin_derivative - Cinnamic acid or derivatives - Coumaric acid or derivatives - Azaspirodecane - N-acyl-piperidine - Phenoxy compound - N-acylpyrrolidine - Phenol ether - Styrene - Thienoimidazolidine - Alkyl aryl ether - Benzenoid - Imidazolidinone - Piperidine - Monocyclic benzene moiety - Pyrrolidine - Thiolane - Tertiary carboxylic acid amide - Thiophene - Imidazolidine - Urea - Carboxamide group - Azacycle - Thioether - Dialkylthioether - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as biotin and derivatives. These are organic compounds containing a ureido (tetrahydroimidizalone) ring fused with a tetrahydrothiophene ring.
External Descriptors
Not available