(5-bromanyl-2-methylsulfanyl-phenyl)-[4-(5-bromanyl-2-methylsulfanyl-phenyl)carbonylpiperazin-1-yl]methanone

Systemtic Name: (5-bromanyl-2-methylsulfanyl-phenyl)-[4-(5-bromanyl-2-methylsulfanyl-phenyl)carbonylpiperazin-1-yl]methanone Openeye Name: [4-(5-bromo-2-methylsulfanyl-benzoyl)piperazin-1-yl]-(5-bromo-2-methylsulfanyl-phenyl)methanone CAS Name: [5-bromo-2-(methylthio)phenyl]-[4-[[5-bromo-2-(methylthio)phenyl]-oxomethyl]-1-piperazinyl]methanone IUPAC Name: [4-(5-bromo-2-methylsulfanylbenzoyl)piperazin-1-yl]-(5-bromo-2-methylsulfanylphenyl)methanone Traditional Name: [4-[5-bromo-2-(methylthio)benzoyl]piperazino]-[5-bromo-2-(methylthio)phenyl]methanone Formula: C20H20Br2N2O2S2 MolecularWeight: 544.323

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)Br)C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)Br)SC

Isomeric SMILES

CSC1=C(C=C(C=C1)Br)C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)Br)SC

InChI

InChI=1S/C20H20Br2N2O2S2/c1-27-17-5-3-13(21)11-15(17)19(25)23-7-9-24(10-8-23)20(26)16-12-14(22)4-6-18(16)28-2/h3-6,11-12H,7-10H2,1-2H3