N-(2-(1-Phenylmethyl)piperidin-4-yl)ethylcarbamothioyl)-1,3-benzodioxole-5-carboxamide

Details

Stereochemistry	ACHIRAL
Molecular Formula	C23H27N3O3S
Molecular Weight	425.544
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N-(2-(1-Phenylmethyl)piperidin-4-yl)ethylcarbamothioyl)-1,3-benzodioxole-5-carboxamide

Structure Search

SMILES

O=C(NC(=S)NCCC1CCN(CC2=CC=CC=C2)CC1)C3=CC4=C(OCO4)C=C3

InChI

InChIKey=OPLHGJDLBDRUTM-UHFFFAOYSA-N

InChI=1S/C23H27N3O3S/c27-22(19-6-7-20-21(14-19)29-16-28-20)25-23(30)24-11-8-17-9-12-26(13-10-17)15-18-4-2-1-3-5-18/h1-7,14,17H,8-13,15-16H2,(H2,24,25,27,30)

HIDE SMILES / InChI

Molecular Formula	C23H27N3O3S
Molecular Weight	425.544
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 `Wed Apr 02 05:48:37 GMT 2025` Edited by `admin` on `Wed Apr 02 05:48:37 GMT 2025`
Record UNII	T6EV7CJ96P
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-(2-(1-Phenylmethyl)piperidin-4-yl)ethylcarbamothioyl)-1,3-benzodioxole-5-carboxamide

Systematic Name

English

1,3-Benzodioxole-5-carboxamide, N-[[[2-[1-(phenylmethyl)-4-piperidinyl]ethyl]amino]thioxomethyl]-

Preferred Name

English

N-[[[2-[1-(Phenylmethyl)-4-piperidinyl]ethyl]amino]thioxomethyl]-1,3-benzodioxole-5-carboxamide

Systematic Name

English

Code System Code Type Description

PUBCHEM

3072951

Created by admin on Wed Apr 02 05:48:37 GMT 2025 , Edited by admin on Wed Apr 02 05:48:37 GMT 2025

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FDA UNII

T6EV7CJ96P

Created by admin on Wed Apr 02 05:48:37 GMT 2025 , Edited by admin on Wed Apr 02 05:48:37 GMT 2025

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EPA CompTox

DTXSID00162950

Created by admin on Wed Apr 02 05:48:37 GMT 2025 , Edited by admin on Wed Apr 02 05:48:37 GMT 2025

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CAS

145232-89-9

Created by admin on Wed Apr 02 05:48:37 GMT 2025 , Edited by admin on Wed Apr 02 05:48:37 GMT 2025

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