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

Systemtic Name: 2-[4-[2-(2-cyanophenyl)sulfanylphenyl]carbonylpiperazin-1-yl]-N-propyl-ethanamide Openeye Name: 2-[4-[2-(2-cyanophenyl)sulfanylbenzoyl]piperazin-1-yl]-N-propyl-acetamide CAS Name: 2-[4-[[2-[(2-cyanophenyl)thio]phenyl]-oxomethyl]-1-piperazinyl]-N-propylacetamide IUPAC Name: 2-[4-[2-(2-cyanophenyl)sulfanylbenzoyl]piperazin-1-yl]-N-propylacetamide Traditional Name: 2-[4-[2-[(2-cyanophenyl)thio]benzoyl]piperazino]-N-propyl-acetamide Formula: C23H26N4O2S MolecularWeight: 422.54314

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CN1CCN(CC1)C(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N

Isomeric SMILES

CCCNC(=O)CN1CCN(CC1)C(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N

InChI

InChI=1S/C23H26N4O2S/c1-2-11-25-22(28)17-26-12-14-27(15-13-26)23(29)19-8-4-6-10-21(19)30-20-9-5-3-7-18(20)16-24/h3-10H,2,11-15,17H2,1H3,(H,25,28)