Compound Identification
SMILES
COC(=S)NC[C@H]1CN(C(=O)O1)C1=CC(F)=C(C=C1)N1CCN(CC1)C1=CC=C(S1)[N+]([O-])=O
InChIKey
InChIKey=RMESTVHOTXPHLW-AWEZNQCLSA-N
Formula
C20H22FN5O5S2
Mass
495.54
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Diazinanes
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Subclass
Piperazines
- Level 5 Phenylpiperazines
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Subclass
Piperazines
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Class
Diazinanes
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazinanes
Subclass
Piperazines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpiperazines
Alternative Parents
N-arylpiperazines 2-nitrothiophenes Dialkylarylamines Nitroaromatic compounds Aniline and substituted anilines Fluorobenzenes 2,5-disubstituted thiophenes Oxazolidinones Aryl fluorides 2-aminothiophenes Heteroaromatic compounds Carbamate esters Thiocarbamic acid esters Organic oxoazanium compounds Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-arylpiperazine - Phenylpiperazine - Nitrothiophene - 2-nitrothiophene - Dialkylarylamine - Aniline or substituted anilines - Tertiary aliphatic/aromatic amine - Nitroaromatic compound - 2,5-disubstituted thiophene - Halobenzene - Fluorobenzene - Oxazolidinone - Benzenoid - Aryl fluoride - 2-aminothiophene - Monocyclic benzene moiety - Aryl halide - Heteroaromatic compound - Oxazolidine - Thiocarbamic acid ester - Thiophene - Carbamic acid ester - Thiocarbamic acid derivative - Tertiary amine - Organic nitro compound - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Oxacycle - Organic oxoazanium - Organic oxide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organosulfur compound - Organohalogen compound - Amine - Hydrocarbon derivative - Carbonyl group - Organic salt - Organic nitrogen compound - Organic zwitterion - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group.
External Descriptors
Not available