1-[4-[4-[3-(methylsulfanylmethyl)phenyl]carbonylpiperazin-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-[3-(methylsulfanylmethyl)phenyl]carbonylpiperazin-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[3-(methylsulfanylmethyl)benzoyl]piperazin-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[[3-[(methylthio)methyl]phenyl]-oxomethyl]-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[3-(methylsulfanylmethyl)benzoyl]piperazin-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-[3-[(methylthio)methyl]benzoyl]piperazino]phenyl]ethanone Formula: C21H24N2O2S MolecularWeight: 368.49246

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC(=CC=C3)CSC

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC(=CC=C3)CSC

InChI

InChI=1S/C21H24N2O2S/c1-16(24)18-6-8-20(9-7-18)22-10-12-23(13-11-22)21(25)19-5-3-4-17(14-19)15-26-2/h3-9,14H,10-13,15H2,1-2H3