2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-N-[1-(furan-3-ylcarbonyl)piperidin-4-yl]ethanamide

Systemtic Name: 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-N-[1-(furan-3-ylcarbonyl)piperidin-4-yl]ethanamide Openeye Name: 2-(4-bromo-2,5-dimethyl-phenyl)sulfanyl-N-[1-(furan-3-carbonyl)-4-piperidyl]acetamide CAS Name: 2-[(4-bromo-2,5-dimethylphenyl)thio]-N-[1-[3-furanyl(oxo)methyl]-4-piperidinyl]acetamide IUPAC Name: 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[1-(furan-3-carbonyl)piperidin-4-yl]acetamide Traditional Name: 2-[(4-bromo-2,5-dimethyl-phenyl)thio]-N-[1-(3-furoyl)-4-piperidyl]acetamide Formula: C20H23BrN2O3S MolecularWeight: 451.37722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)NC2CCN(CC2)C(=O)C3=COC=C3

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)NC2CCN(CC2)C(=O)C3=COC=C3

InChI

InChI=1S/C20H23BrN2O3S/c1-13-10-18(14(2)9-17(13)21)27-12-19(24)22-16-3-6-23(7-4-16)20(25)15-5-8-26-11-15/h5,8-11,16H,3-4,6-7,12H2,1-2H3,(H,22,24)