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

Systemtic Name: N-(3-methylsulfanylpropyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(E)-cinnamyl]-N-(3-methylsulfanylpropyl)piperazin-4-ium-1-carbothioamide CAS Name: N-[3-(methylthio)propyl]-4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(3-methylsulfanylpropyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbothioamide Traditional Name: 4-[(E)-cinnamyl]-N-[3-(methylthio)propyl]piperazin-4-ium-1-carbothioamide Formula: C18H28N3S2+ MolecularWeight: 350.56502

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCNC(=S)N1CC[NH+](CC1)CC=CC2=CC=CC=C2

Isomeric SMILES

CSCCCNC(=S)N1CC[NH+](CC1)C/C=C/C2=CC=CC=C2

InChI

InChI=1S/C18H27N3S2/c1-23-16-6-10-19-18(22)21-14-12-20(13-15-21)11-5-9-17-7-3-2-4-8-17/h2-5,7-9H,6,10-16H2,1H3,(H,19,22)/p+1/b9-5+