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

Details

Stereochemistry ACHIRAL
Molecular Formula C15H18N4OS
Molecular Weight 302.395
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 1,3-Dihydro-3-(hydroxymethylene)-4-(4-methyl-1-piperazinyl)-2H-1,5-benzodiazepine-2-thione

SMILES

CN1CCN(CC1)C2=NC3=C(NC(=S)\C2=C/O)C=CC=C3

InChI

InChIKey=AHLVAHJPLRKOQZ-KHPPLWFESA-N
InChI=1S/C15H18N4OS/c1-18-6-8-19(9-7-18)14-11(10-20)15(21)17-13-5-3-2-4-12(13)16-14/h2-5,10,20H,6-9H2,1H3,(H,17,21)/b11-10-

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
2H-1,5-Benzodiazepine-2-thione, 1,3-dihydro-3-(hydroxymethylene)-4-(4-methyl-1-piperazinyl)-
Preferred Name English
1,3-Dihydro-3-(hydroxymethylene)-4-(4-methyl-1-piperazinyl)-2H-1,5-benzodiazepine-2-thione
Systematic Name English
3-(Hydroxymethylene)-4-(4-methylpiperazin-1-yl)-1H-benzo[b][1,4]diazepine-2(3H)-thione
Systematic Name English
Code System Code Type Description
PUBCHEM
71751204
Created by admin on Wed Apr 02 20:09:07 GMT 2025 , Edited by admin on Wed Apr 02 20:09:07 GMT 2025
PRIMARY
CAS
1320360-86-8
Created by admin on Wed Apr 02 20:09:07 GMT 2025 , Edited by admin on Wed Apr 02 20:09:07 GMT 2025
PRIMARY
FDA UNII
L3LS9C74PM
Created by admin on Wed Apr 02 20:09:07 GMT 2025 , Edited by admin on Wed Apr 02 20:09:07 GMT 2025
PRIMARY
NIH
NCATS
PRIVACY NOTICE
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