2-[[2-methoxy-4-[4-(phenylmethyl)piperazin-1-yl]carbothioyl-phenoxy]methyl]benzenecarbonitrile

Systemtic Name: 2-[[2-methoxy-4-[4-(phenylmethyl)piperazin-1-yl]carbothioyl-phenoxy]methyl]benzenecarbonitrile Openeye Name: 2-[[4-(4-benzylpiperazine-1-carbothioyl)-2-methoxy-phenoxy]methyl]benzonitrile CAS Name: 2-[[2-methoxy-4-[[4-(phenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]phenoxy]methyl]benzonitrile IUPAC Name: 2-[[4-(4-benzylpiperazine-1-carbothioyl)-2-methoxyphenoxy]methyl]benzonitrile Traditional Name: 2-[[4-(4-benzylpiperazine-1-carbothioyl)-2-methoxy-phenoxy]methyl]benzonitrile Formula: C27H27N3O2S MolecularWeight: 457.58718

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=S)N2CCN(CC2)CC3=CC=CC=C3)OCC4=CC=CC=C4C#N

Isomeric SMILES

COC1=C(C=CC(=C1)C(=S)N2CCN(CC2)CC3=CC=CC=C3)OCC4=CC=CC=C4C#N

InChI

InChI=1S/C27H27N3O2S/c1-31-26-17-22(11-12-25(26)32-20-24-10-6-5-9-23(24)18-28)27(33)30-15-13-29(14-16-30)19-21-7-3-2-4-8-21/h2-12,17H,13-16,19-20H2,1H3