3-(carbamimidoylsulfanyl)-N-phenylpropanamide hydrochloride

Details

Stereochemistry	ACHIRAL
Molecular Formula	C10H13N3OS.ClH
Molecular Weight	259.756
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-(carbamimidoylsulfanyl)-N-phenylpropanamide hydrochloride

Structure Search

SMILES

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

InChI

InChIKey=LWBFGXVSSWFHCV-UHFFFAOYSA-N

InChI=1S/C10H13N3OS.ClH/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	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	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 19:56:36 GMT 2023` Edited by `admin` on `Sat Dec 16 19:56:36 GMT 2023`
Record UNII	4RQJ4BZL36
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-(carbamimidoylsulfanyl)-N-phenylpropanamide hydrochloride

Systematic Name

English

Carbamimidothioic acid, 3-oxo-3-(phenylamino)propyl ester, monohydrochloride

Systematic Name

English

(3-anilino-3-oxopropyl) carbamimidothioate,hydrochloride

Systematic Name

English

Pseudourea, 2-(2-phenylcarbamoylethyl)-2-thio-, hydrochloride

Systematic Name

English

Code System Code Type Description

FDA UNII

4RQJ4BZL36

Created by admin on Sat Dec 16 19:56:36 GMT 2023 , Edited by admin on Sat Dec 16 19:56:36 GMT 2023

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EPA CompTox

DTXSID90713657

Created by admin on Sat Dec 16 19:56:36 GMT 2023 , Edited by admin on Sat Dec 16 19:56:36 GMT 2023

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CAS

6634-43-1

Created by admin on Sat Dec 16 19:56:36 GMT 2023 , Edited by admin on Sat Dec 16 19:56:36 GMT 2023

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PUBCHEM

54603466

Created by admin on Sat Dec 16 19:56:36 GMT 2023 , Edited by admin on Sat Dec 16 19:56:36 GMT 2023

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