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Details

Stereochemistry ACHIRAL
Molecular Formula C17H25N3OS.ClH
Molecular Weight 355.926
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(3-benzamidopropyl)-1-cyclohexyl-2-thiopseudourea hydrochloride

SMILES

Cl.N=C(NC1CCCCC1)SCCCNC(=O)C2=CC=CC=C2

InChI

InChIKey=ZSESJKHDZDCGHK-UHFFFAOYSA-N
InChI=1S/C17H25N3OS.ClH/c18-17(20-15-10-5-2-6-11-15)22-13-7-12-19-16(21)14-8-3-1-4-9-14;/h1,3-4,8-9,15H,2,5-7,10-13H2,(H2,18,20)(H,19,21);1H

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C17H25N3OS
Molecular Weight 319.465
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 Mon Mar 31 18:08:05 GMT 2025
Edited
by admin
on Mon Mar 31 18:08:05 GMT 2025
Record UNII
D4Q58U8ZN8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BAX-1845
Preferred Name English
2-(3-benzamidopropyl)-1-cyclohexyl-2-thiopseudourea hydrochloride
Systematic Name English
Pseudourea, 2-(3-benzamidopropyl)-1-cyclohexyl-2-thio-, monohydrochloride
Systematic Name English
BAX1845
Code English
Code System Code Type Description
FDA UNII
D4Q58U8ZN8
Created by admin on Mon Mar 31 18:08:05 GMT 2025 , Edited by admin on Mon Mar 31 18:08:05 GMT 2025
PRIMARY
CAS
14555-36-3
Created by admin on Mon Mar 31 18:08:05 GMT 2025 , Edited by admin on Mon Mar 31 18:08:05 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE