2-[[2-[4-(phenylmethyl)piperazin-1-yl]carbothioylphenoxy]methyl]benzenecarbonitrile

Systemtic Name: 2-[[2-[4-(phenylmethyl)piperazin-1-yl]carbothioylphenoxy]methyl]benzenecarbonitrile Openeye Name: 2-[[2-(4-benzylpiperazine-1-carbothioyl)phenoxy]methyl]benzonitrile CAS Name: 2-[[2-[[4-(phenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]phenoxy]methyl]benzonitrile IUPAC Name: 2-[[2-(4-benzylpiperazine-1-carbothioyl)phenoxy]methyl]benzonitrile Traditional Name: 2-[[2-(4-benzylpiperazine-1-carbothioyl)phenoxy]methyl]benzonitrile Formula: C26H25N3OS MolecularWeight: 427.5612

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=S)C3=CC=CC=C3OCC4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=S)C3=CC=CC=C3OCC4=CC=CC=C4C#N

InChI

InChI=1S/C26H25N3OS/c27-18-22-10-4-5-11-23(22)20-30-25-13-7-6-12-24(25)26(31)29-16-14-28(15-17-29)19-21-8-2-1-3-9-21/h1-13H,14-17,19-20H2