4-[[4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-oxoethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)acetyl]piperazino]methyl]benzonitrile Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)CSC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)CSC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H23N3O3S/c23-14-17-1-3-18(4-2-17)15-24-7-9-25(10-8-24)22(26)16-29-19-5-6-20-21(13-19)28-12-11-27-20/h1-6,13H,7-12,15-16H2