2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-1-[4-(furan-2-ylcarbonyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-1-[4-(furan-2-ylcarbonyl)piperazin-1-yl]ethanone Openeye Name: 2-(4-bromo-2,5-dimethyl-phenyl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone CAS Name: 2-[(4-bromo-2,5-dimethylphenyl)thio]-1-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone Traditional Name: 2-[(4-bromo-2,5-dimethyl-phenyl)thio]-1-[4-(2-furoyl)piperazino]ethanone Formula: C19H21BrN2O3S MolecularWeight: 437.35064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)N2CCN(CC2)C(=O)C3=CC=CO3

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)N2CCN(CC2)C(=O)C3=CC=CO3

InChI

InChI=1S/C19H21BrN2O3S/c1-13-11-17(14(2)10-15(13)20)26-12-18(23)21-5-7-22(8-6-21)19(24)16-4-3-9-25-16/h3-4,9-11H,5-8,12H2,1-2H3