Compound Identification
SMILES
CC(C)(C)OC(=O)N1CCC(CN(C2CCC3(CC3C2)C2=CC=CC(=C2)C#N)C(=S)NC2=CC(Cl)=C(Cl)C=C2[N+]([O-])=O)CC1
InChIKey
InChIKey=OJHOIEFCQSWLIY-UHFFFAOYSA-N
Formula
C32H37Cl2N5O4S
Mass
658.64
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
Piperidinecarboxylic acids Nitrobenzenes Benzonitriles Dichlorobenzenes Nitroaromatic compounds Aryl chlorides Carbamate esters Thioureas Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Nitriles Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic salts Organochlorides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-phenylthiourea - Nitrobenzene - Piperidinecarboxylic acid - Nitroaromatic compound - Benzonitrile - 1,2-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Piperidine - Carbamic acid ester - Organic nitro compound - C-nitro compound - Thiourea - Azacycle - Carbonitrile - Nitrile - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carbonyl group - Organohalogen compound - Organic salt - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Cyanide - Organic oxide - Hydrocarbon derivative - Organic cation - 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