4-[(4-cyanophenyl)methyl]-N-(3-methylsulfanylpropyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[(4-cyanophenyl)methyl]-N-(3-methylsulfanylpropyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(4-cyanophenyl)methyl]-N-(3-methylsulfanylpropyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-[(4-cyanophenyl)methyl]-N-[3-(methylthio)propyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(4-cyanophenyl)methyl]-N-(3-methylsulfanylpropyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-(4-cyanobenzyl)-N-[3-(methylthio)propyl]piperazin-4-ium-1-carbothioamide Formula: C17H25N4S2+ MolecularWeight: 349.5372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4S2/c1-23-12-2-7-19-17(22)21-10-8-20(9-11-21)14-16-5-3-15(13-18)4-6-16/h3-6H,2,7-12,14H2,1H3,(H,19,22)/p+1