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

Systemtic Name: 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]ethanamide Openeye Name: 2-(4-bromo-2,5-dimethyl-phenyl)sulfanyl-N-[1-(2,2-dimethylpropanoyl)-4-piperidyl]acetamide CAS Name: 2-[(4-bromo-2,5-dimethylphenyl)thio]-N-[1-(2,2-dimethyl-1-oxopropyl)-4-piperidinyl]acetamide IUPAC Name: 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]acetamide Traditional Name: 2-[(4-bromo-2,5-dimethyl-phenyl)thio]-N-(1-pivaloyl-4-piperidyl)acetamide Formula: C20H29BrN2O2S MolecularWeight: 441.42546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29BrN2O2S/c1-13-11-17(14(2)10-16(13)21)26-12-18(24)22-15-6-8-23(9-7-15)19(25)20(3,4)5/h10-11,15H,6-9,12H2,1-5H3,(H,22,24)