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

Details

Stereochemistry ACHIRAL
Molecular Formula C10H13N3OS.BrH
Molecular Weight 304.207
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(carbamimidoylsulfanyl)-N-phenylpropanamide hydrobromide

SMILES

Br.NC(=N)SCCC(=O)NC1=CC=CC=C1

InChI

InChIKey=NIUMTQFFKPBTSQ-UHFFFAOYSA-N
InChI=1S/C10H13N3OS.BrH/c11-10(12)15-7-6-9(14)13-8-4-2-1-3-5-8;/h1-5H,6-7H2,(H3,11,12)(H,13,14);1H

HIDE SMILES / InChI

Molecular Formula BrH
Molecular Weight 80.912
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C10H13N3OS
Molecular Weight 223.295
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 Sat Dec 16 12:37:14 UTC 2023
Edited
by admin
on Sat Dec 16 12:37:14 UTC 2023
Record UNII
LKF7B2S848
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(carbamimidoylsulfanyl)-N-phenylpropanamide hydrobromide
Systematic Name English
(3-anilino-3-oxopropyl) carbamimidothioate,hydrobromide
Systematic Name English
NSC-220037
Code English
PSEUDOUREA, 2-(2-CARBANILOYLETHYL)-2-THIO-, HYDROBROMIDE
Common Name English
Carbamimidothioic acid, 3-oxo-3-(phenylamino)propyl ester, monohydrobromide
Common Name English
Code System Code Type Description
FDA UNII
LKF7B2S848
Created by admin on Sat Dec 16 12:37:14 UTC 2023 , Edited by admin on Sat Dec 16 12:37:14 UTC 2023
PRIMARY
NSC
220037
Created by admin on Sat Dec 16 12:37:14 UTC 2023 , Edited by admin on Sat Dec 16 12:37:14 UTC 2023
PRIMARY
PUBCHEM
3056803
Created by admin on Sat Dec 16 12:37:14 UTC 2023 , Edited by admin on Sat Dec 16 12:37:14 UTC 2023
PRIMARY
EPA CompTox
DTXSID00224385
Created by admin on Sat Dec 16 12:37:14 UTC 2023 , Edited by admin on Sat Dec 16 12:37:14 UTC 2023
PRIMARY
CAS
73839-99-3
Created by admin on Sat Dec 16 12:37:14 UTC 2023 , Edited by admin on Sat Dec 16 12:37:14 UTC 2023
PRIMARY