2-[4-[2-(2-cyanophenyl)sulfanylphenyl]carbonylpiperazin-1-yl]-N-(2,6-dimethylphenyl)ethanamide

Systemtic Name: 2-[4-[2-(2-cyanophenyl)sulfanylphenyl]carbonylpiperazin-1-yl]-N-(2,6-dimethylphenyl)ethanamide Openeye Name: 2-[4-[2-(2-cyanophenyl)sulfanylbenzoyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide CAS Name: 2-[4-[[2-[(2-cyanophenyl)thio]phenyl]-oxomethyl]-1-piperazinyl]-N-(2,6-dimethylphenyl)acetamide IUPAC Name: 2-[4-[2-(2-cyanophenyl)sulfanylbenzoyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide Traditional Name: 2-[4-[2-[(2-cyanophenyl)thio]benzoyl]piperazino]-N-(2,6-dimethylphenyl)acetamide Formula: C28H28N4O2S MolecularWeight: 484.61252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)C(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)C(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N

InChI

InChI=1S/C28H28N4O2S/c1-20-8-7-9-21(2)27(20)30-26(33)19-31-14-16-32(17-15-31)28(34)23-11-4-6-13-25(23)35-24-12-5-3-10-22(24)18-29/h3-13H,14-17,19H2,1-2H3,(H,30,33)