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

Systemtic Name: 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-(4-bromo-2,5-dimethyl-phenyl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-[(4-bromo-2,5-dimethylphenyl)thio]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-[(4-bromo-2,5-dimethyl-phenyl)thio]-1-(4-phenylpiperazino)ethanone Formula: C20H23BrN2OS MolecularWeight: 419.37842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C20H23BrN2OS/c1-15-13-19(16(2)12-18(15)21)25-14-20(24)23-10-8-22(9-11-23)17-6-4-3-5-7-17/h3-7,12-13H,8-11,14H2,1-2H3