2-[2-[[3-Methyl-4-[2-[6-(methylsulfonyl)-2-benzothiazolyl]diazenyl]phenyl]amino]ethyl]-1H-isoindole-1,3(2H)-dione

Details

Stereochemistry	ACHIRAL
Molecular Formula	C25H21N5O4S2
Molecular Weight	519.595
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 2-[2-[[3-Methyl-4-[2-[6-(methylsulfonyl)-2-benzothiazolyl]diazenyl]phenyl]amino]ethyl]-1H-isoindole-1,3(2H)-dione

Structure Search

SMILES

CC1=C(C=CC(NCCN2C(=O)C3=C(C=CC=C3)C2=O)=C1)\N=N/C4=NC5=CC=C(C=C5S4)S(C)(=O)=O

InChI

InChIKey=GBVCFNGCJAGIKC-ZIADKAODSA-N

InChI=1S/C25H21N5O4S2/c1-15-13-16(26-11-12-30-23(31)18-5-3-4-6-19(18)24(30)32)7-9-20(15)28-29-25-27-21-10-8-17(36(2,33)34)14-22(21)35-25/h3-10,13-14,26H,11-12H2,1-2H3/b29-28-

HIDE SMILES / InChI

Molecular Formula	C25H21N5O4S2
Molecular Weight	519.595
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 12:24:16 GMT 2023` Edited by `admin` on `Sat Dec 16 12:24:16 GMT 2023`
Record UNII	M5FLY4P5CZ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-[2-[[3-Methyl-4-[2-[6-(methylsulfonyl)-2-benzothiazolyl]diazenyl]phenyl]amino]ethyl]-1H-isoindole-1,3(2H)-dione

Systematic Name

English

1H-Isoindole-1,3(2H)-dione, 2-[2-[[3-methyl-4-[2-[6-(methylsulfonyl)-2-benzothiazolyl]diazenyl]phenyl]amino]ethyl]-

Systematic Name

English

1H-Isoindole-1,3(2H)-dione, 2-[2-[[3-methyl-4-[[6-(methylsulfonyl)-2-benzothiazolyl]azo]phenyl]amino]ethyl]-

Systematic Name

English

Code System Code Type Description

FDA UNII

M5FLY4P5CZ