Compound Identification
SMILES
Cl.O=C1C(NC(=S)NC2=CC=CC=C2)SC2=NC3=CC=CC=C3N12
InChIKey
InChIKey=TWXVGIJTUSQVDH-UHFFFAOYSA-N
Formula
C16H13ClN4OS2
Mass
376.88
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
Alpha amino acids and derivatives Benzimidazoles N-acylimidazoles Alkylarylthioethers Heteroaromatic compounds Thioureas Lactams Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - N-phenylthiourea - Benzimidazole - Aryl thioether - N-acylimidazole - Alkylarylthioether - N-substituted imidazole - Azole - Imidazole - Heteroaromatic compound - Lactam - Thiourea - Thioether - Azacycle - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrochloride - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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