4-[[4-[2-(1,3-benzothiazol-2-ylmethylsulfanyl)ethanoyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2-(1,3-benzothiazol-2-ylmethylsulfanyl)ethanoyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(1,3-benzothiazol-2-ylmethylsulfanyl)acetyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[2-(1,3-benzothiazol-2-ylmethylthio)-1-oxoethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(1,3-benzothiazol-2-ylmethylsulfanyl)acetyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(1,3-benzothiazol-2-ylmethylthio)acetyl]piperazino]methyl]benzonitrile Formula: C22H22N4OS2 MolecularWeight: 422.56628

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)CSCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)CSCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H22N4OS2/c23-13-17-5-7-18(8-6-17)14-25-9-11-26(12-10-25)22(27)16-28-15-21-24-19-3-1-2-4-20(19)29-21/h1-8H,9-12,14-16H2