4-[[4-[2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylphenyl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylphenyl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[oxo-[2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]phenyl]methyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-[(2-keto-2-pyrrolidino-ethyl)thio]benzoyl]piperazino]methyl]benzonitrile Formula: C25H28N4O2S MolecularWeight: 448.58042

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=CC=CC=C2C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=CC=CC=C2C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H28N4O2S/c26-17-20-7-9-21(10-8-20)18-27-13-15-29(16-14-27)25(31)22-5-1-2-6-23(22)32-19-24(30)28-11-3-4-12-28/h1-2,5-10H,3-4,11-16,18-19H2