1-[(E)-3-phenylprop-2-enyl]-4-[(2,4,5-trimethoxyphenyl)methylsulfanyl]piperidine

Systemtic Name: 1-[(E)-3-phenylprop-2-enyl]-4-[(2,4,5-trimethoxyphenyl)methylsulfanyl]piperidine Openeye Name: 1-[(E)-cinnamyl]-4-[(2,4,5-trimethoxyphenyl)methylsulfanyl]piperidine CAS Name: 1-[(E)-3-phenylprop-2-enyl]-4-[(2,4,5-trimethoxyphenyl)methylthio]piperidine IUPAC Name: 1-[(E)-3-phenylprop-2-enyl]-4-[(2,4,5-trimethoxyphenyl)methylsulfanyl]piperidine Traditional Name: 1-[(E)-cinnamyl]-4-[(2,4,5-trimethoxybenzyl)thio]piperidine Formula: C24H31NO3S MolecularWeight: 413.57284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CSC2CCN(CC2)CC=CC3=CC=CC=C3)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1CSC2CCN(CC2)C/C=C/C3=CC=CC=C3)OC)OC

InChI

InChI=1S/C24H31NO3S/c1-26-22-17-24(28-3)23(27-2)16-20(22)18-29-21-11-14-25(15-12-21)13-7-10-19-8-5-4-6-9-19/h4-10,16-17,21H,11-15,18H2,1-3H3/b10-7+