N-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-[4-(1,3-benzothiazol-2-ylsulfanylmethylamino)phenyl]sulfonylaniline

Details

Stereochemistry	ACHIRAL
Molecular Formula	C28H22N4O2S5
Molecular Weight	606.825
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-[4-(1,3-benzothiazol-2-ylsulfanylmethylamino)phenyl]sulfonylaniline

Structure Search

SMILES

O=S(=O)(C1=CC=C(NCSC2=NC3=C(S2)C=CC=C3)C=C1)C4=CC=C(NCSC5=NC6=C(S5)C=CC=C6)C=C4

InChI

InChIKey=AATWFVPUDNISEP-UHFFFAOYSA-N

InChI=1S/C28H22N4O2S5/c33-39(34,21-13-9-19(10-14-21)29-17-35-27-31-23-5-1-3-7-25(23)37-27)22-15-11-20(12-16-22)30-18-36-28-32-24-6-2-4-8-26(24)38-28/h1-16,29-30H,17-18H2

HIDE SMILES / InChI

Molecular Formula	C28H22N4O2S5
Molecular Weight	606.825
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 `Tue Apr 01 19:57:09 GMT 2025` Edited by `admin` on `Tue Apr 01 19:57:09 GMT 2025`
Record UNII	V3GPG5BET6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-34242

Preferred Name

English

N-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-[4-(1,3-benzothiazol-2-ylsulfanylmethylamino)phenyl]sulfonylaniline

Systematic Name

English

N-((1,3-Benzothiazol-2-ylthio)methyl)-N-(4-((4-(((1,3-benzothiazol-2-ylthio)methyl)amino)phenyl)sulfonyl)phenyl)amine

Systematic Name

English

Code System Code Type Description

PUBCHEM

234406