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

Systemtic Name: 4-[[4-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(1,3-benzothiazol-2-ylthio)acetyl]piperazino]methyl]benzonitrile Formula: C21H20N4OS2 MolecularWeight: 408.5397

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H20N4OS2/c22-13-16-5-7-17(8-6-16)14-24-9-11-25(12-10-24)20(26)15-27-21-23-18-3-1-2-4-19(18)28-21/h1-8H,9-12,14-15H2