2-(4-bromanyl-2-methyl-phenyl)sulfanyl-1-[4-(diphenylmethyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(4-bromanyl-2-methyl-phenyl)sulfanyl-1-[4-(diphenylmethyl)piperazin-1-yl]ethanone Openeye Name: 1-(4-benzhydrylpiperazin-1-yl)-2-(4-bromo-2-methyl-phenyl)sulfanyl-ethanone CAS Name: 2-[(4-bromo-2-methylphenyl)thio]-1-[4-(diphenylmethyl)-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzhydrylpiperazin-1-yl)-2-(4-bromo-2-methylphenyl)sulfanylethanone Traditional Name: 1-(4-benzhydrylpiperazino)-2-[(4-bromo-2-methyl-phenyl)thio]ethanone Formula: C26H27BrN2OS MolecularWeight: 495.47438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H27BrN2OS/c1-20-18-23(27)12-13-24(20)31-19-25(30)28-14-16-29(17-15-28)26(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-13,18,26H,14-17,19H2,1H3