Compound Identification
SMILES
COC(=O)C1=C(NC(=S)NC2=CC=CC=C2Br)SC(=C1)C1=CC=CC=C1
InChIKey
InChIKey=FRCFNACOWQEXLI-UHFFFAOYSA-N
Formula
C19H15BrN2O2S2
Mass
447.37
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
Thiophene carboxylic acids and derivatives 2,3,5-trisubstituted thiophenes Bromobenzenes Aryl bromides Vinylogous amides Methyl esters Heteroaromatic compounds Thioureas Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-phenylthiourea - Thiophene carboxylic acid or derivatives - 2,3,5-trisubstituted thiophene - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Heteroaromatic compound - Thiophene - Methyl ester - Vinylogous amide - Carboxylic acid ester - Thiourea - Organoheterocyclic compound - Carboxylic acid derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Aromatic heteromonocyclic 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