Compound Identification
SMILES
CN(C)C1=CC=C(NC(=S)N2CCC(CC2)C2=NC(=CS2)C(=O)NCC2COC3=CC=CC=C3O2)C=C1
InChIKey
InChIKey=CYBZIDCWSRKLSP-UHFFFAOYSA-N
Formula
C27H31N5O3S2
Mass
537.7
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass N-phenylthioureas
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
N-phenylthioureas
Intermediate Tree Nodes
Not available
Direct Parent
N-phenylthioureas
Alternative Parents
Benzo-1,4-dioxanes Thiazolecarboxamides 2-heteroaryl carboxamides Aniline and substituted anilines Dialkylarylamines 2,4-disubstituted thiazoles Alkyl aryl ethers Piperidines Para dioxins Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Thioureas Oxacyclic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzo-1,4-dioxane - Benzodioxane - N-phenylthiourea - 2-heteroaryl carboxamide - Aniline or substituted anilines - Dialkylarylamine - Thiazolecarboxylic acid or derivatives - Thiazolecarboxamide - Tertiary aliphatic/aromatic amine - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Para-dioxin - Piperidine - Azole - Heteroaromatic compound - Thiazole - Amino acid or derivatives - Carboxamide group - Thiourea - Secondary carboxylic acid amide - Tertiary amine - Azacycle - Ether - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Amine - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as n-phenylthioureas. These are compounds containing a N-phenylthiourea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a thiourea group.
External Descriptors
Not available