N-[2-(5-fluoranyl-1H-indol-3-yl)ethyl]-4-[(2-methoxy-4-methylsulfanyl-phenyl)carbonylamino]piperidine-4-carboxamide

Systemtic Name: N-[2-(5-fluoranyl-1H-indol-3-yl)ethyl]-4-[(2-methoxy-4-methylsulfanyl-phenyl)carbonylamino]piperidine-4-carboxamide Openeye Name: N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[(2-methoxy-4-methylsulfanyl-benzoyl)amino]piperidine-4-carboxamide CAS Name: N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[[[2-methoxy-4-(methylthio)phenyl]-oxomethyl]amino]-4-piperidinecarboxamide IUPAC Name: N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[(2-methoxy-4-methylsulfanylbenzoyl)amino]piperidine-4-carboxamide Traditional Name: N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[[2-methoxy-4-(methylthio)benzoyl]amino]isonipecotamide Formula: C25H29FN4O3S MolecularWeight: 484.586163

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC)C(=O)NC2(CCNCC2)C(=O)NCCC3=CNC4=C3C=C(C=C4)F

Isomeric SMILES

COC1=C(C=CC(=C1)SC)C(=O)NC2(CCNCC2)C(=O)NCCC3=CNC4=C3C=C(C=C4)F

InChI

InChI=1S/C25H29FN4O3S/c1-33-22-14-18(34-2)4-5-19(22)23(31)30-25(8-11-27-12-9-25)24(32)28-10-7-16-15-29-21-6-3-17(26)13-20(16)21/h3-6,13-15,27,29H,7-12H2,1-2H3,(H,28,32)(H,30,31)