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

Systemtic Name: 2-(4-bromanyl-2-methyl-phenyl)sulfanyl-1-[4-(furan-2-ylcarbonyl)piperazin-1-yl]ethanone Openeye Name: 2-(4-bromo-2-methyl-phenyl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone CAS Name: 2-[(4-bromo-2-methylphenyl)thio]-1-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-(4-bromo-2-methylphenyl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]-1-[4-(2-furoyl)piperazino]ethanone Formula: C18H19BrN2O3S MolecularWeight: 423.32406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)N2CCN(CC2)C(=O)C3=CC=CO3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)N2CCN(CC2)C(=O)C3=CC=CO3

InChI

InChI=1S/C18H19BrN2O3S/c1-13-11-14(19)4-5-16(13)25-12-17(22)20-6-8-21(9-7-20)18(23)15-3-2-10-24-15/h2-5,10-11H,6-9,12H2,1H3