2-[(8-chloranyldibenzofuran-2-yl)methylsulfanyl]-1-(4-ethanoylpiperazin-1-yl)ethanone

Systemtic Name: 2-[(8-chloranyldibenzofuran-2-yl)methylsulfanyl]-1-(4-ethanoylpiperazin-1-yl)ethanone Openeye Name: 1-(4-acetylpiperazin-1-yl)-2-[(8-chlorodibenzofuran-2-yl)methylsulfanyl]ethanone CAS Name: 1-(4-acetyl-1-piperazinyl)-2-[(8-chloro-2-dibenzofuranyl)methylthio]ethanone IUPAC Name: 1-(4-acetylpiperazin-1-yl)-2-[(8-chlorodibenzofuran-2-yl)methylsulfanyl]ethanone Traditional Name: 1-(4-acetylpiperazino)-2-[(8-chlorodibenzofuran-2-yl)methylthio]ethanone Formula: C21H21ClN2O3S MolecularWeight: 416.92104

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)CSCC2=CC3=C(C=C2)OC4=C3C=C(C=C4)Cl

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)CSCC2=CC3=C(C=C2)OC4=C3C=C(C=C4)Cl

InChI

InChI=1S/C21H21ClN2O3S/c1-14(25)23-6-8-24(9-7-23)21(26)13-28-12-15-2-4-19-17(10-15)18-11-16(22)3-5-20(18)27-19/h2-5,10-11H,6-9,12-13H2,1H3