2-[4-[2-(2-cyanophenyl)sulfanylphenyl]carbonylpiperazin-1-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-[2-(2-cyanophenyl)sulfanylphenyl]carbonylpiperazin-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-[2-(2-cyanophenyl)sulfanylbenzoyl]piperazin-1-yl]acetamide CAS Name: 2-[4-[[2-[(2-cyanophenyl)thio]phenyl]-oxomethyl]-1-piperazinyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-[2-(2-cyanophenyl)sulfanylbenzoyl]piperazin-1-yl]acetamide Traditional Name: N-benzyl-2-[4-[2-[(2-cyanophenyl)thio]benzoyl]piperazino]acetamide Formula: C27H26N4O2S MolecularWeight: 470.58594

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)NCC2=CC=CC=C2)C(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1CC(=O)NCC2=CC=CC=C2)C(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N

InChI

InChI=1S/C27H26N4O2S/c28-18-22-10-4-6-12-24(22)34-25-13-7-5-11-23(25)27(33)31-16-14-30(15-17-31)20-26(32)29-19-21-8-2-1-3-9-21/h1-13H,14-17,19-20H2,(H,29,32)