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

Systemtic Name: 2-(4-bromanyl-2-methyl-phenyl)sulfanyl-N-[1-(furan-3-ylcarbonyl)piperidin-4-yl]ethanamide Openeye Name: 2-(4-bromo-2-methyl-phenyl)sulfanyl-N-[1-(furan-3-carbonyl)-4-piperidyl]acetamide CAS Name: 2-[(4-bromo-2-methylphenyl)thio]-N-[1-[3-furanyl(oxo)methyl]-4-piperidinyl]acetamide IUPAC Name: 2-(4-bromo-2-methylphenyl)sulfanyl-N-[1-(furan-3-carbonyl)piperidin-4-yl]acetamide Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]-N-[1-(3-furoyl)-4-piperidyl]acetamide Formula: C19H21BrN2O3S MolecularWeight: 437.35064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)NC2CCN(CC2)C(=O)C3=COC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)NC2CCN(CC2)C(=O)C3=COC=C3

InChI

InChI=1S/C19H21BrN2O3S/c1-13-10-15(20)2-3-17(13)26-12-18(23)21-16-4-7-22(8-5-16)19(24)14-6-9-25-11-14/h2-3,6,9-11,16H,4-5,7-8,12H2,1H3,(H,21,23)