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

Systemtic Name: N-(4-ethoxyphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(E)-cinnamyl]-N-(4-ethoxyphenyl)piperazin-4-ium-1-carbothioamide CAS Name: N-(4-ethoxyphenyl)-4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(4-ethoxyphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbothioamide Traditional Name: 4-[(E)-cinnamyl]-N-p-phenetyl-piperazin-4-ium-1-carbothioamide Formula: C22H28N3OS+ MolecularWeight: 382.54222

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)N2CC[NH+](CC2)CC=CC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)N2CC[NH+](CC2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H27N3OS/c1-2-26-21-12-10-20(11-13-21)23-22(27)25-17-15-24(16-18-25)14-6-9-19-7-4-3-5-8-19/h3-13H,2,14-18H2,1H3,(H,23,27)/p+1/b9-6+