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

Systemtic Name: N-(3-ethanoylphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-(3-acetylphenyl)-4-[(E)-cinnamyl]piperazin-4-ium-1-carbothioamide CAS Name: N-(3-acetylphenyl)-4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(3-acetylphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbothioamide Traditional Name: N-(3-acetylphenyl)-4-[(E)-cinnamyl]piperazin-4-ium-1-carbothioamide Formula: C22H26N3OS+ MolecularWeight: 380.52634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3OS/c1-18(26)20-10-5-11-21(17-20)23-22(27)25-15-13-24(14-16-25)12-6-9-19-7-3-2-4-8-19/h2-11,17H,12-16H2,1H3,(H,23,27)/p+1/b9-6+