1-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoyl]-N-methyl-piperidine-4-carboxamide

Systemtic Name: 1-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoyl]-N-methyl-piperidine-4-carboxamide Openeye Name: 1-[2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetyl]-N-methyl-piperidine-4-carboxamide CAS Name: 1-[2-[(4-bromo-2,5-dimethylphenyl)thio]-1-oxoethyl]-N-methyl-4-piperidinecarboxamide IUPAC Name: 1-[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]-N-methylpiperidine-4-carboxamide Traditional Name: 1-[2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetyl]-N-methyl-isonipecotamide Formula: C17H23BrN2O2S MolecularWeight: 399.34572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)N2CCC(CC2)C(=O)NC

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)N2CCC(CC2)C(=O)NC

InChI

InChI=1S/C17H23BrN2O2S/c1-11-9-15(12(2)8-14(11)18)23-10-16(21)20-6-4-13(5-7-20)17(22)19-3/h8-9,13H,4-7,10H2,1-3H3,(H,19,22)