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

Systemtic Name: N-phenethyl-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(E)-cinnamyl]-N-phenethyl-piperazin-4-ium-1-carbothioamide CAS Name: N-phenethyl-4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-phenethyl-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbothioamide Traditional Name: 4-[(E)-cinnamyl]-N-phenethyl-piperazin-4-ium-1-carbothioamide Formula: C22H28N3S+ MolecularWeight: 366.54282

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C(=S)NCCC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C22H27N3S/c26-22(23-14-13-21-10-5-2-6-11-21)25-18-16-24(17-19-25)15-7-12-20-8-3-1-4-9-20/h1-12H,13-19H2,(H,23,26)/p+1/b12-7+