2,2-diphenyl-1-[4-(2-pyridin-4-ylsulfanylethanoyl)piperazin-1-yl]ethanone

Systemtic Name: 2,2-diphenyl-1-[4-(2-pyridin-4-ylsulfanylethanoyl)piperazin-1-yl]ethanone Openeye Name: 2,2-diphenyl-1-[4-[2-(4-pyridylsulfanyl)acetyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[1-oxo-2-(pyridin-4-ylthio)ethyl]-1-piperazinyl]-2,2-diphenylethanone IUPAC Name: 2,2-diphenyl-1-[4-(2-pyridin-4-ylsulfanylacetyl)piperazin-1-yl]ethanone Traditional Name: 2,2-diphenyl-1-[4-[2-(4-pyridylthio)acetyl]piperazino]ethanone Formula: C25H25N3O2S MolecularWeight: 431.5499

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=CC=NC=C2)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=CC=NC=C2)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H25N3O2S/c29-23(19-31-22-11-13-26-14-12-22)27-15-17-28(18-16-27)25(30)24(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,24H,15-19H2