U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C16H18ClNO2S
Molecular Weight 323.838
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of THENYLCHLOR

SMILES

COC1=C(CN(C(=O)CCl)C2=C(C)C=CC=C2C)SC=C1

InChI

InChIKey=KDWQYMVPYJGPHS-UHFFFAOYSA-N
InChI=1S/C16H18ClNO2S/c1-11-5-4-6-12(2)16(11)18(15(19)9-17)10-14-13(20-3)7-8-21-14/h4-8H,9-10H2,1-3H3

HIDE SMILES / InChI
Molecular Formula C16H18ClNO2S
Molecular Weight 323.838
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
139594
PubMed

PubMed

TitleDatePubMed
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.
2006 Nov
Patents

Patents

JP2000281513A
1
JP2000503297A
6
JP2002308710A
1
JP2002518303A
71
JP2005529943A
4
JP2005533844A
13
JP2006528217A
38
JP2008069166A
5
JP2010047546A
1
JP4118948B2
6
JP4646403B2
50
JP4676668B2
26
JP4680590B2
4
JP4733269B2
51
JP4737988B2
23
JP4739752B2
53
JPH00748209A
1
JPH00995404A
1
JPH04112802A
2
JPH06227917A
1
JPH06293607A
1
JPH0748209A
1
JPH09255511A
1
JPH0995404A
1
JPH10203910A
2
JPH10265309A
2
JPH10279406A
2
JPH10287503A
1
JPH1112111A
3
Substance Class Chemical
Created
by admin
on Fri Dec 15 19:08:15 GMT 2023
Edited
by admin
on Fri Dec 15 19:08:15 GMT 2023
Record UNII
T8ET5RE8I8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
THENYLCHLOR
ISO  
Common Name English
THENYLCHLOR [ISO]
Common Name English
2-CHLORO-N-(3-METHOXY-2-THENYL)-2',6'-DIMETHYLACETANILIDE
Systematic Name English
2-CHLORO-N-(2,6-DIMETHYLPHENYL)-N-((3-METHOXY-2-THIENYL)METHYL)ACETAMIDE
Systematic Name English
Code System Code Type Description
CAS
96491-05-3
Created by admin on Fri Dec 15 19:08:15 GMT 2023 , Edited by admin on Fri Dec 15 19:08:15 GMT 2023
PRIMARY
EPA CompTox
DTXSID0058227
Created by admin on Fri Dec 15 19:08:15 GMT 2023 , Edited by admin on Fri Dec 15 19:08:15 GMT 2023
PRIMARY
FDA UNII
T8ET5RE8I8
Created by admin on Fri Dec 15 19:08:15 GMT 2023 , Edited by admin on Fri Dec 15 19:08:15 GMT 2023
PRIMARY
PUBCHEM
443036
Created by admin on Fri Dec 15 19:08:15 GMT 2023 , Edited by admin on Fri Dec 15 19:08:15 GMT 2023
PRIMARY
ALANWOOD
thenylchlor
Created by admin on Fri Dec 15 19:08:15 GMT 2023 , Edited by admin on Fri Dec 15 19:08:15 GMT 2023
PRIMARY
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966