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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CSC2CCN(CC2)CC=CC3=CC=CC=C3)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CSC2CCN(CC2)C/C=C/C3=CC=CC=C3)OC)OC

InChI

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