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Details

Stereochemistry ACHIRAL
Molecular Formula C13H12ClNO2S
Molecular Weight 281.758
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ONTIANIL

SMILES

ClC1=CC=C(NC(=S)C2C(=O)CCCC2=O)C=C1

InChI

InChIKey=KBMXZBWIWSRALH-UHFFFAOYSA-N
InChI=1S/C13H12ClNO2S/c14-8-4-6-9(7-5-8)15-13(18)12-10(16)2-1-3-11(12)17/h4-7,12H,1-3H2,(H,15,18)

HIDE SMILES / InChI

Molecular Formula C13H12ClNO2S
Molecular Weight 281.758
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:58:55 GMT 2023
Edited
by admin
on Fri Dec 15 15:58:55 GMT 2023
Record UNII
CWD6R2J64D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ONTIANIL
INN   MI  
INN  
Official Name English
4'-CHLORO-2,6-DIOXOCYCLOHEXANECARBOTHIOANILIDE
Systematic Name English
2,6-DIOXOCYCLOHEXANETHIOCARBONIC ACID 4-CHLOROANILIDE
Common Name English
ontianil [INN]
Common Name English
ONTIANIL [MI]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C250
Created by admin on Fri Dec 15 15:58:55 GMT 2023 , Edited by admin on Fri Dec 15 15:58:55 GMT 2023
Code System Code Type Description
CAS
35727-72-1
Created by admin on Fri Dec 15 15:58:55 GMT 2023 , Edited by admin on Fri Dec 15 15:58:55 GMT 2023
PRIMARY
NCI_THESAURUS
C90729
Created by admin on Fri Dec 15 15:58:55 GMT 2023 , Edited by admin on Fri Dec 15 15:58:55 GMT 2023
PRIMARY
SMS_ID
100000083321
Created by admin on Fri Dec 15 15:58:55 GMT 2023 , Edited by admin on Fri Dec 15 15:58:55 GMT 2023
PRIMARY
INN
3549
Created by admin on Fri Dec 15 15:58:55 GMT 2023 , Edited by admin on Fri Dec 15 15:58:55 GMT 2023
PRIMARY
PUBCHEM
3033959
Created by admin on Fri Dec 15 15:58:55 GMT 2023 , Edited by admin on Fri Dec 15 15:58:55 GMT 2023
PRIMARY
ChEMBL
CHEMBL2105264
Created by admin on Fri Dec 15 15:58:55 GMT 2023 , Edited by admin on Fri Dec 15 15:58:55 GMT 2023
PRIMARY
MERCK INDEX
m858
Created by admin on Fri Dec 15 15:58:55 GMT 2023 , Edited by admin on Fri Dec 15 15:58:55 GMT 2023
PRIMARY Merck Index
EPA CompTox
DTXSID10189259
Created by admin on Fri Dec 15 15:58:55 GMT 2023 , Edited by admin on Fri Dec 15 15:58:55 GMT 2023
PRIMARY
FDA UNII
CWD6R2J64D
Created by admin on Fri Dec 15 15:58:55 GMT 2023 , Edited by admin on Fri Dec 15 15:58:55 GMT 2023
PRIMARY
EVMPD
SUB09447MIG
Created by admin on Fri Dec 15 15:58:55 GMT 2023 , Edited by admin on Fri Dec 15 15:58:55 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY