1-(4-ethanoylpiperazin-1-yl)-2-[[4-(2-phenylphenoxy)phenyl]methylsulfanyl]ethanone

Systemtic Name: 1-(4-ethanoylpiperazin-1-yl)-2-[[4-(2-phenylphenoxy)phenyl]methylsulfanyl]ethanone Openeye Name: 1-(4-acetylpiperazin-1-yl)-2-[[4-(2-phenylphenoxy)phenyl]methylsulfanyl]ethanone CAS Name: 1-(4-acetyl-1-piperazinyl)-2-[[4-(2-phenylphenoxy)phenyl]methylthio]ethanone IUPAC Name: 1-(4-acetylpiperazin-1-yl)-2-[[4-(2-phenylphenoxy)phenyl]methylsulfanyl]ethanone Traditional Name: 1-(4-acetylpiperazino)-2-[[4-(2-phenylphenoxy)benzyl]thio]ethanone Formula: C27H28N2O3S MolecularWeight: 460.58782

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)CSCC2=CC=C(C=C2)OC3=CC=CC=C3C4=CC=CC=C4

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)CSCC2=CC=C(C=C2)OC3=CC=CC=C3C4=CC=CC=C4

InChI

InChI=1S/C27H28N2O3S/c1-21(30)28-15-17-29(18-16-28)27(31)20-33-19-22-11-13-24(14-12-22)32-26-10-6-5-9-25(26)23-7-3-2-4-8-23/h2-14H,15-20H2,1H3