2-[4-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-(1,3-benzothiazol-2-ylthio)acetyl]piperazino]sulfonylbenzonitrile Formula: C20H18N4O3S3 MolecularWeight: 458.57692

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C20H18N4O3S3/c21-13-15-5-1-4-8-18(15)30(26,27)24-11-9-23(10-12-24)19(25)14-28-20-22-16-6-2-3-7-17(16)29-20/h1-8H,9-12,14H2