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

Systemtic Name: N-(2-chlorophenyl)-2-[4-[2-(2-cyanophenyl)sulfanylphenyl]carbonylpiperazin-1-yl]ethanamide Openeye Name: N-(2-chlorophenyl)-2-[4-[2-(2-cyanophenyl)sulfanylbenzoyl]piperazin-1-yl]acetamide CAS Name: N-(2-chlorophenyl)-2-[4-[[2-[(2-cyanophenyl)thio]phenyl]-oxomethyl]-1-piperazinyl]acetamide IUPAC Name: N-(2-chlorophenyl)-2-[4-[2-(2-cyanophenyl)sulfanylbenzoyl]piperazin-1-yl]acetamide Traditional Name: N-(2-chlorophenyl)-2-[4-[2-[(2-cyanophenyl)thio]benzoyl]piperazino]acetamide Formula: C26H23ClN4O2S MolecularWeight: 491.00442

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)NC2=CC=CC=C2Cl)C(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1CC(=O)NC2=CC=CC=C2Cl)C(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N

InChI

InChI=1S/C26H23ClN4O2S/c27-21-9-3-4-10-22(21)29-25(32)18-30-13-15-31(16-14-30)26(33)20-8-2-6-12-24(20)34-23-11-5-1-7-19(23)17-28/h1-12H,13-16,18H2,(H,29,32)