2-[2-[N-ethyl-3-methyl-4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)diazenyl]anilino]ethyl]isoindole-1,3-dione

Details

Stereochemistry	ACHIRAL
Molecular Formula	C27H25N5O4S2
Molecular Weight	547.649
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 2-[2-[N-ethyl-3-methyl-4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)diazenyl]anilino]ethyl]isoindole-1,3-dione

Structure Search

SMILES

CCN(CCN1C(=O)C2=CC=CC=C2C1=O)C3=CC(C)=C(C=C3)N=NC4=NC5=CC=C(C=C5S4)S(C)(=O)=O

InChI

InChIKey=YBURDRPVRFXIBD-QVIHXGFCSA-N

InChI=1S/C27H25N5O4S2/c1-4-31(13-14-32-25(33)20-7-5-6-8-21(20)26(32)34)18-9-11-22(17(2)15-18)29-30-27-28-23-12-10-19(38(3,35)36)16-24(23)37-27/h5-12,15-16H,4,13-14H2,1-3H3/b30-29+

HIDE SMILES / InChI

Molecular Formula	C27H25N5O4S2
Molecular Weight	547.649
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 12:01:17 GMT 2023` Edited by `admin` on `Sat Dec 16 12:01:17 GMT 2023`
Record UNII	X8J79W4X67
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-[2-[N-ethyl-3-methyl-4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)diazenyl]anilino]ethyl]isoindole-1,3-dione

Systematic Name

English

Phthalimide, N-[2-[N-ethyl-4-[[6-(methylsulfonyl)-2-benzothiazolyl]azo]-m-toluidino]ethyl]-

Systematic Name

English

2-[2-[Ethyl[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-(ETHYL(3-METHYL-4-((6-(METHYLSULFONYL)-2-BENZOTHIAZOLYL)AZO)PHENYL)AMINO)ETHYL)-

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

PUBCHEM

75150