Compound Identification
SMILES
CCOC(=O)C1=C(NC(=S)NC2=CC=C(C=C2)C2=NC3=C(S2)C=C(C)C=C3)SC(CC2=CC=CC=C2)=C1
InChIKey
InChIKey=DFFLHNSFVBWHBA-UHFFFAOYSA-N
Formula
C29H25N3O2S3
Mass
543.72
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
Benzothiazoles Thiophene carboxylic acids and derivatives 2,3,5-trisubstituted thiophenes Vinylogous amides Thiazoles Heteroaromatic compounds Thioureas Carboxylic acid esters Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-phenylthiourea - 1,3-benzothiazole - Thiophene carboxylic acid or derivatives - 2,3,5-trisubstituted thiophene - Azole - Thiazole - Thiophene - Vinylogous amide - Heteroaromatic compound - Thiourea - Carboxylic acid ester - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - 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