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Details

Stereochemistry ACHIRAL
Molecular Formula C17H20N4O2S
Molecular Weight 344.431
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 3-[(Acetyloxy)methylene]-1,3-dihydro-4-(4-methyl-1-piperazinyl)-2H-1,5-benzodiazepine-2-thione, (3Z)-

SMILES

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

InChI

InChIKey=KMCOFWWWTNQXFV-QBFSEMIESA-N
InChI=1S/C17H20N4O2S/c1-12(22)23-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)24/h3-6,11H,7-10H2,1-2H3,(H,19,24)/b13-11-

HIDE SMILES / InChI

Molecular Formula C17H20N4O2S
Molecular Weight 344.431
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 21:02:40 GMT 2025
Edited
by admin
on Wed Apr 02 21:02:40 GMT 2025
Record UNII
R3XSK9P9JT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-[(Acetyloxy)methylene]-1,3-dihydro-4-(4-methyl-1-piperazinyl)-2H-1,5-benzodiazepine-2-thione, (3Z)-
Systematic Name English
(3Z)-3-[(Acetyloxy)methylene]-1,3-dihydro-4-(4-methyl-1-piperazinyl)-2H-1,5-benzodiazepine-2-thione
Preferred Name English
2H-1,5-Benzodiazepine-2-thione, 3-[(acetyloxy)methylene]-1,3-dihydro-4-(4-methyl-1-piperazinyl)-, (3Z)-
Systematic Name English
3-[(Acetyloxy)methylene]-1,3-dihydro-4-(4-methyl-1-piperazinyl)-2H-1,5-benzodiazepine-2-thione
Systematic Name English
Code System Code Type Description
CAS
2485860-97-5
Created by admin on Wed Apr 02 21:02:40 GMT 2025 , Edited by admin on Wed Apr 02 21:02:40 GMT 2025
NON-SPECIFIC STEREOCHEMISTRY
FDA UNII
R3XSK9P9JT
Created by admin on Wed Apr 02 21:02:40 GMT 2025 , Edited by admin on Wed Apr 02 21:02:40 GMT 2025
PRIMARY
CAS
1320360-87-9
Created by admin on Wed Apr 02 21:02:40 GMT 2025 , Edited by admin on Wed Apr 02 21:02:40 GMT 2025
PRIMARY
PUBCHEM
71751203
Created by admin on Wed Apr 02 21:02:40 GMT 2025 , Edited by admin on Wed Apr 02 21:02:40 GMT 2025
PRIMARY