1-[[5-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]azepan-2-one

Systemtic Name: 1-[[5-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]azepan-2-one Openeye Name: 1-[[5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]azepan-2-one CAS Name: 1-[[5-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]-1,3,4-oxadiazol-2-yl]methyl]-2-azepanone IUPAC Name: 1-[[5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]azepan-2-one Traditional Name: 1-[[5-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]-1,3,4-oxadiazol-2-yl]methyl]azepan-2-one Formula: C21H27N5O3S MolecularWeight: 429.53578

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CC2=NN=C(O2)SCC(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

C1CCC(=O)N(CC1)CC2=NN=C(O2)SCC(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H27N5O3S/c27-19-9-5-2-6-10-26(19)15-18-22-23-21(29-18)30-16-20(28)25-13-11-24(12-14-25)17-7-3-1-4-8-17/h1,3-4,7-8H,2,5-6,9-16H2