2-(2-azanylethylsulfanyl)-N-[(E)-4-[3-(piperidin-1-ylmethyl)phenoxy]but-2-enyl]ethanamide

Systemtic Name: 2-(2-azanylethylsulfanyl)-N-[(E)-4-[3-(piperidin-1-ylmethyl)phenoxy]but-2-enyl]ethanamide Openeye Name: 2-(2-aminoethylsulfanyl)-N-[(E)-4-[3-(1-piperidylmethyl)phenoxy]but-2-enyl]acetamide CAS Name: 2-(2-aminoethylthio)-N-[(E)-4-[3-(1-piperidinylmethyl)phenoxy]but-2-enyl]acetamide IUPAC Name: 2-(2-aminoethylsulfanyl)-N-[(E)-4-[3-(piperidin-1-ylmethyl)phenoxy]but-2-enyl]acetamide Traditional Name: 2-(2-aminoethylthio)-N-[(E)-4-[3-(piperidinomethyl)phenoxy]but-2-enyl]acetamide Formula: C20H31N3O2S MolecularWeight: 377.54404

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC(=CC=C2)OCC=CCNC(=O)CSCCN

Isomeric SMILES

C1CCN(CC1)CC2=CC(=CC=C2)OC/C=C/CNC(=O)CSCCN

InChI

InChI=1S/C20H31N3O2S/c21-9-14-26-17-20(24)22-10-2-5-13-25-19-8-6-7-18(15-19)16-23-11-3-1-4-12-23/h2,5-8,15H,1,3-4,9-14,16-17,21H2,(H,22,24)/b5-2+