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

Details

Stereochemistry ACHIRAL
Molecular Formula C14H20N2O3S.ClH
Molecular Weight 332.846
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl 3-[[(aminoiminomethyl)thio]methyl]-4-propoxybenzeneacetate hydrochloride

SMILES

Cl.CCCOC1=CC=C(CC(=O)OC)C=C1CSC(N)=N

InChI

InChIKey=AJRODWWJXBNZOA-UHFFFAOYSA-N
InChI=1S/C14H20N2O3S.ClH/c1-3-6-19-12-5-4-10(8-13(17)18-2)7-11(12)9-20-14(15)16;/h4-5,7H,3,6,8-9H2,1-2H3,(H3,15,16);1H

HIDE SMILES / InChI

Approval Year

Name Type Language
Methyl 3-[[(aminoiminomethyl)thio]methyl]-4-propoxybenzeneacetate hydrochloride
Systematic Name English
Benzeneacetic acid, 3-[[(aminoiminomethyl)thio]methyl]-4-propoxy-, methyl ester, hydrochloride (1:1)
Preferred Name English
Benzeneacetic acid, 3-[[(aminoiminomethyl)thio]methyl]-4-propoxy-, methyl ester, monohydrochloride
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID40962214
Created by admin on Mon Mar 31 18:41:27 GMT 2025 , Edited by admin on Mon Mar 31 18:41:27 GMT 2025
PRIMARY
FDA UNII
TJJ5YFH4US
Created by admin on Mon Mar 31 18:41:27 GMT 2025 , Edited by admin on Mon Mar 31 18:41:27 GMT 2025
PRIMARY
PUBCHEM
39107
Created by admin on Mon Mar 31 18:41:27 GMT 2025 , Edited by admin on Mon Mar 31 18:41:27 GMT 2025
PRIMARY
CAS
42024-63-5
Created by admin on Mon Mar 31 18:41:27 GMT 2025 , Edited by admin on Mon Mar 31 18:41:27 GMT 2025
PRIMARY