1-(2,3-dihydroindol-1-yl)-2-[2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]carbonylphenyl]sulfanyl-ethanone

Systemtic Name: 1-(2,3-dihydroindol-1-yl)-2-[2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]carbonylphenyl]sulfanyl-ethanone Openeye Name: 1-indolin-1-yl-2-[2-[4-(2-pyridylmethyl)piperazine-1-carbonyl]phenyl]sulfanyl-ethanone CAS Name: 1-(2,3-dihydroindol-1-yl)-2-[[2-[oxo-[4-(2-pyridinylmethyl)-1-piperazinyl]methyl]phenyl]thio]ethanone IUPAC Name: 1-(2,3-dihydroindol-1-yl)-2-[2-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]phenyl]sulfanylethanone Traditional Name: 1-indolin-1-yl-2-[[2-[4-(2-pyridylmethyl)piperazine-1-carbonyl]phenyl]thio]ethanone Formula: C27H28N4O2S MolecularWeight: 472.60182

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C21)C(=O)CSC3=CC=CC=C3C(=O)N4CCN(CC4)CC5=CC=CC=N5

Isomeric SMILES

C1CN(C2=CC=CC=C21)C(=O)CSC3=CC=CC=C3C(=O)N4CCN(CC4)CC5=CC=CC=N5

InChI

InChI=1S/C27H28N4O2S/c32-26(31-14-12-21-7-1-3-10-24(21)31)20-34-25-11-4-2-9-23(25)27(33)30-17-15-29(16-18-30)19-22-8-5-6-13-28-22/h1-11,13H,12,14-20H2