2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-1-(4-ethanoylpiperazin-1-yl)ethanone

Systemtic Name: 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-1-(4-ethanoylpiperazin-1-yl)ethanone Openeye Name: 1-(4-acetylpiperazin-1-yl)-2-(4-bromo-2,5-dimethyl-phenyl)sulfanyl-ethanone CAS Name: 1-(4-acetyl-1-piperazinyl)-2-[(4-bromo-2,5-dimethylphenyl)thio]ethanone IUPAC Name: 1-(4-acetylpiperazin-1-yl)-2-(4-bromo-2,5-dimethylphenyl)sulfanylethanone Traditional Name: 1-(4-acetylpiperazino)-2-[(4-bromo-2,5-dimethyl-phenyl)thio]ethanone Formula: C16H21BrN2O2S MolecularWeight: 385.31914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)N2CCN(CC2)C(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)N2CCN(CC2)C(=O)C

InChI

InChI=1S/C16H21BrN2O2S/c1-11-9-15(12(2)8-14(11)17)22-10-16(21)19-6-4-18(5-7-19)13(3)20/h8-9H,4-7,10H2,1-3H3