Compound Identification
SMILES
CC(C)C1=CC=C(NC(=S)NC2=CC=C(CCNC(=O)C(=O)C3=CC4=CC=CC=C4S3)C=C2)C=C1
InChIKey
InChIKey=ZLFHIAQNGKKPJT-UHFFFAOYSA-N
Formula
C28H27N3O2S2
Mass
501.66
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
-
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
Phenylpropanes Cumenes 1-benzothiophenes Aryl ketones 2,3,5-trisubstituted thiophenes Heteroaromatic compounds Thioureas Secondary carboxylic acid amides Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-phenylthiourea - Benzothiophene - Cumene - 1-benzothiophene - Phenylpropane - Aryl ketone - 2,3,5-trisubstituted thiophene - Heteroaromatic compound - Thiophene - Carboxamide group - Ketone - Secondary carboxylic acid amide - Thiourea - Carboxylic acid derivative - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - 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