N-[2-[2-[[(E)-4-[2-[(2-methoxypiperidin-1-yl)methyl]phenoxy]but-2-enyl]amino]-2-oxidanylidene-ethyl]sulfanylethyl]furan-3-carboxamide

Systemtic Name: N-[2-[2-[[(E)-4-[2-[(2-methoxypiperidin-1-yl)methyl]phenoxy]but-2-enyl]amino]-2-oxidanylidene-ethyl]sulfanylethyl]furan-3-carboxamide Openeye Name: N-[2-[2-[[(E)-4-[2-[(2-methoxy-1-piperidyl)methyl]phenoxy]but-2-enyl]amino]-2-oxo-ethyl]sulfanylethyl]furan-3-carboxamide CAS Name: N-[2-[[2-[[(E)-4-[2-[(2-methoxy-1-piperidinyl)methyl]phenoxy]but-2-enyl]amino]-2-oxoethyl]thio]ethyl]-3-furancarboxamide IUPAC Name: N-[2-[2-[[(E)-4-[2-[(2-methoxypiperidin-1-yl)methyl]phenoxy]but-2-enyl]amino]-2-oxoethyl]sulfanylethyl]furan-3-carboxamide Traditional Name: N-[2-[[2-keto-2-[[(E)-4-[2-[(2-methoxypiperidino)methyl]phenoxy]but-2-enyl]amino]ethyl]thio]ethyl]-3-furamide Formula: C26H35N3O5S MolecularWeight: 501.6382

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Descriptors Computed from Structure

Canonical SMILES:

COC1CCCCN1CC2=CC=CC=C2OCC=CCNC(=O)CSCCNC(=O)C3=COC=C3

Isomeric SMILES

COC1CCCCN1CC2=CC=CC=C2OC/C=C/CNC(=O)CSCCNC(=O)C3=COC=C3

InChI

InChI=1S/C26H35N3O5S/c1-32-25-10-4-6-14-29(25)18-21-8-2-3-9-23(21)34-15-7-5-12-27-24(30)20-35-17-13-28-26(31)22-11-16-33-19-22/h2-3,5,7-9,11,16,19,25H,4,6,10,12-15,17-18,20H2,1H3,(H,27,30)(H,28,31)/b7-5+