N-[2-(5-fluoranyl-1H-indol-3-yl)ethyl]-4-[2-(4-methylpyrimidin-2-yl)sulfanylethanoylamino]piperidine-4-carboxamide

Systemtic Name: N-[2-(5-fluoranyl-1H-indol-3-yl)ethyl]-4-[2-(4-methylpyrimidin-2-yl)sulfanylethanoylamino]piperidine-4-carboxamide Openeye Name: N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]amino]piperidine-4-carboxamide CAS Name: N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[[2-[(4-methyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]-4-piperidinecarboxamide IUPAC Name: N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]amino]piperidine-4-carboxamide Traditional Name: N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[[2-[(4-methylpyrimidin-2-yl)thio]acetyl]amino]isonipecotamide Formula: C23H27FN6O2S MolecularWeight: 470.562883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SCC(=O)NC2(CCNCC2)C(=O)NCCC3=CNC4=C3C=C(C=C4)F

Isomeric SMILES

CC1=NC(=NC=C1)SCC(=O)NC2(CCNCC2)C(=O)NCCC3=CNC4=C3C=C(C=C4)F

InChI

InChI=1S/C23H27FN6O2S/c1-15-4-8-27-22(29-15)33-14-20(31)30-23(6-10-25-11-7-23)21(32)26-9-5-16-13-28-19-3-2-17(24)12-18(16)19/h2-4,8,12-13,25,28H,5-7,9-11,14H2,1H3,(H,26,32)(H,30,31)