1-(4-phenylpiperazin-1-yl)-2-(2,4,6-trimethylphenyl)sulfanyl-ethanone

Systemtic Name: 1-(4-phenylpiperazin-1-yl)-2-(2,4,6-trimethylphenyl)sulfanyl-ethanone Openeye Name: 1-(4-phenylpiperazin-1-yl)-2-(2,4,6-trimethylphenyl)sulfanyl-ethanone CAS Name: 1-(4-phenyl-1-piperazinyl)-2-[(2,4,6-trimethylphenyl)thio]ethanone IUPAC Name: 1-(4-phenylpiperazin-1-yl)-2-(2,4,6-trimethylphenyl)sulfanylethanone Traditional Name: 2-(mesitylthio)-1-(4-phenylpiperazino)ethanone Formula: C21H26N2OS MolecularWeight: 354.50894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)SCC(=O)N2CCN(CC2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)SCC(=O)N2CCN(CC2)C3=CC=CC=C3)C

InChI

InChI=1S/C21H26N2OS/c1-16-13-17(2)21(18(3)14-16)25-15-20(24)23-11-9-22(10-12-23)19-7-5-4-6-8-19/h4-8,13-14H,9-12,15H2,1-3H3