N-(4-fluorophenyl)-2-[2-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-1-yl]carbonylphenyl]sulfanyl-ethanamide

Systemtic Name: N-(4-fluorophenyl)-2-[2-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-1-yl]carbonylphenyl]sulfanyl-ethanamide Openeye Name: N-(4-fluorophenyl)-2-[2-[4-[2-oxo-2-(1-piperidyl)ethyl]piperazine-1-carbonyl]phenyl]sulfanyl-acetamide CAS Name: N-(4-fluorophenyl)-2-[[2-[oxo-[4-[2-oxo-2-(1-piperidinyl)ethyl]-1-piperazinyl]methyl]phenyl]thio]acetamide IUPAC Name: N-(4-fluorophenyl)-2-[2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]phenyl]sulfanylacetamide Traditional Name: N-(4-fluorophenyl)-2-[[2-[4-(2-keto-2-piperidino-ethyl)piperazine-1-carbonyl]phenyl]thio]acetamide Formula: C26H31FN4O3S MolecularWeight: 498.612743

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CN2CCN(CC2)C(=O)C3=CC=CC=C3SCC(=O)NC4=CC=C(C=C4)F

Isomeric SMILES

C1CCN(CC1)C(=O)CN2CCN(CC2)C(=O)C3=CC=CC=C3SCC(=O)NC4=CC=C(C=C4)F

InChI

InChI=1S/C26H31FN4O3S/c27-20-8-10-21(11-9-20)28-24(32)19-35-23-7-3-2-6-22(23)26(34)31-16-14-29(15-17-31)18-25(33)30-12-4-1-5-13-30/h2-3,6-11H,1,4-5,12-19H2,(H,28,32)