N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbothioamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(E)-cinnamyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazin-4-ium-1-carbothioamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbothioamide Traditional Name: 4-[(E)-cinnamyl]-N-homoveratryl-piperazin-4-ium-1-carbothioamide Formula: C24H32N3O2S+ MolecularWeight: 426.59478

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)N2CC[NH+](CC2)CC=CC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)N2CC[NH+](CC2)C/C=C/C3=CC=CC=C3)OC

InChI

InChI=1S/C24H31N3O2S/c1-28-22-11-10-21(19-23(22)29-2)12-13-25-24(30)27-17-15-26(16-18-27)14-6-9-20-7-4-3-5-8-20/h3-11,19H,12-18H2,1-2H3,(H,25,30)/p+1/b9-6+