1-[2-(4-bromophenyl)sulfanylethanoyl]-N-(3-methylpyridin-2-yl)piperidine-4-carboxamide

Systemtic Name: 1-[2-(4-bromophenyl)sulfanylethanoyl]-N-(3-methylpyridin-2-yl)piperidine-4-carboxamide Openeye Name: 1-[2-(4-bromophenyl)sulfanylacetyl]-N-(3-methyl-2-pyridyl)piperidine-4-carboxamide CAS Name: 1-[2-[(4-bromophenyl)thio]-1-oxoethyl]-N-(3-methyl-2-pyridinyl)-4-piperidinecarboxamide IUPAC Name: 1-[2-(4-bromophenyl)sulfanylacetyl]-N-(3-methylpyridin-2-yl)piperidine-4-carboxamide Traditional Name: 1-[2-[(4-bromophenyl)thio]acetyl]-N-(3-methyl-2-pyridyl)isonipecotamide Formula: C20H22BrN3O2S MolecularWeight: 448.37658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)NC(=O)C2CCN(CC2)C(=O)CSC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=C(N=CC=C1)NC(=O)C2CCN(CC2)C(=O)CSC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H22BrN3O2S/c1-14-3-2-10-22-19(14)23-20(26)15-8-11-24(12-9-15)18(25)13-27-17-6-4-16(21)5-7-17/h2-7,10,15H,8-9,11-13H2,1H3,(H,22,23,26)