(E)-2-(2-azanylethylsulfanyl)-2-[3-(piperidin-1-ylmethyl)phenoxy]hex-4-enamide

Systemtic Name: (E)-2-(2-azanylethylsulfanyl)-2-[3-(piperidin-1-ylmethyl)phenoxy]hex-4-enamide Openeye Name: (E)-2-(2-aminoethylsulfanyl)-2-[3-(1-piperidylmethyl)phenoxy]hex-4-enamide CAS Name: (E)-2-(2-aminoethylthio)-2-[3-(1-piperidinylmethyl)phenoxy]-4-hexenamide IUPAC Name: (E)-2-(2-aminoethylsulfanyl)-2-[3-(piperidin-1-ylmethyl)phenoxy]hex-4-enamide Traditional Name: (E)-2-(2-aminoethylthio)-2-[3-(piperidinomethyl)phenoxy]hex-4-enamide Formula: C20H31N3O2S MolecularWeight: 377.54404

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCC(C(=O)N)(OC1=CC=CC(=C1)CN2CCCCC2)SCCN

Isomeric SMILES

C/C=C/CC(C(=O)N)(OC1=CC=CC(=C1)CN2CCCCC2)SCCN

InChI

InChI=1S/C20H31N3O2S/c1-2-3-10-20(19(22)24,26-14-11-21)25-18-9-7-8-17(15-18)16-23-12-5-4-6-13-23/h2-3,7-9,15H,4-6,10-14,16,21H2,1H3,(H2,22,24)/b3-2+