Compound Identification
SMILES
O=C(CCCCC1SC[C@@H]2NC(=O)N[C@H]12)NCC1=CC=C(C=C1)N=C=S
InChIKey
InChIKey=CBXXERNSCZNNDF-AYWPPYMVSA-N
Formula
C18H22N4O2S2
Mass
390.52
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
Thienoimidazolidines Benzene and substituted derivatives N-acyl amines Imidazolidinones Thiophenes Thiolanes Ureas Secondary carboxylic acid amides Isothiocyanates Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Dialkylthioethers Hydrocarbon derivatives Carbonyl compounds Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Biotin_derivative - Thienoimidazolidine - Monocyclic benzene moiety - Fatty amide - Imidazolidinone - N-acyl-amine - Fatty acyl - Benzenoid - Imidazolidine - Thiolane - Thiophene - Urea - Carboxamide group - Isothiocyanate - Secondary carboxylic acid amide - Azacycle - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Dialkylthioether - Thioether - Carbonyl group - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen 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