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

Systemtic Name: N-(4-phenoxyphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(E)-cinnamyl]-N-(4-phenoxyphenyl)piperazin-4-ium-1-carbothioamide CAS Name: N-(4-phenoxyphenyl)-4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(4-phenoxyphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbothioamide Traditional Name: 4-[(E)-cinnamyl]-N-(4-phenoxyphenyl)piperazin-4-ium-1-carbothioamide Formula: C26H28N3OS+ MolecularWeight: 430.58502

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C(=S)NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C(=S)NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C26H27N3OS/c31-26(27-23-13-15-25(16-14-23)30-24-11-5-2-6-12-24)29-20-18-28(19-21-29)17-7-10-22-8-3-1-4-9-22/h1-16H,17-21H2,(H,27,31)/p+1/b10-7+