N-(3-methylsulfanylpropyl)-4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(3-methylsulfanylpropyl)-4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-(3-methylsulfanylpropyl)-4-(3-thienylmethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-[3-(methylthio)propyl]-4-(3-thiophenylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(3-methylsulfanylpropyl)-4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-[3-(methylthio)propyl]-4-(3-thenyl)piperazin-4-ium-1-carbothioamide Formula: C14H24N3S3+ MolecularWeight: 330.55546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H23N3S3/c1-19-9-2-4-15-14(18)17-7-5-16(6-8-17)11-13-3-10-20-12-13/h3,10,12H,2,4-9,11H2,1H3,(H,15,18)/p+1