FR-900452

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H25N3O3S
Molecular Weight	411.517
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]3([C@H](C)[C@]1([H])NC(=O)[C@H](CSC)N\C1=C2\CC=CC2=O)C(=O)N(C)C4=CC=CC=C34

InChI

InChIKey=UAPDNDKYPBHNQT-WYQUJLIOSA-N

InChI=1S/C22H25N3O3S/c1-12(18-13-7-4-5-9-16(13)25(2)22(18)28)19-20(14-8-6-10-17(14)26)23-15(11-29-3)21(27)24-19/h4-7,9-10,12,15,18-19,23H,8,11H2,1-3H3,(H,24,27)/b20-14-/t12-,15-,18-,19-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C22H25N3O3S
Molecular Weight	411.517
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:17:32 UTC 2023` Edited by `admin` on `Sat Dec 16 19:17:32 UTC 2023`
Record UNII	X8NKC5FC8S
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

FR-900452

Code

English

2H-Indol-2-one, 1,3-dihydro-1-methyl-3-[(1S)-1-[(2S,3Z,5R)-5-[(methylthio)methyl]-6-oxo-3-(2-oxo-3-cyclopenten-1-ylidene)-2-piperazinyl]ethyl]-, (3S)-

Systematic Name

English

FR900452

Code

English

(3S)-1,3-Dihydro-1-methyl-3-[(1S)-1-[(2S,3Z,5R)-5-[(methylthio)methyl]-6-oxo-3-(2-oxo-3-cyclopenten-1-ylidene)-2-piperazinyl]ethyl]-2H-indol-2-one

Systematic Name

English

Code System Code Type Description

CAS

101706-33-6

Created by admin on Sat Dec 16 19:17:32 UTC 2023 , Edited by admin on Sat Dec 16 19:17:32 UTC 2023

PRIMARY

PUBCHEM

9866325

Created by admin on Sat Dec 16 19:17:32 UTC 2023 , Edited by admin on Sat Dec 16 19:17:32 UTC 2023

PRIMARY

FDA UNII

X8NKC5FC8S

Created by admin on Sat Dec 16 19:17:32 UTC 2023 , Edited by admin on Sat Dec 16 19:17:32 UTC 2023

PRIMARY

Related Record Type Details


					X8NKC5FC8S

FR-900452

ACTIVE MOIETY

Amount: