N-[[(2S)-oxolan-2-yl]methyl]-4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-[[(2S)-oxolan-2-yl]methyl]-4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-[[(2S)-tetrahydrofuran-2-yl]methyl]-4-(3-thienylmethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-[[(2S)-2-oxolanyl]methyl]-4-(3-thiophenylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: N-[[(2S)-oxolan-2-yl]methyl]-4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-[[(2S)-tetrahydrofuran-2-yl]methyl]-4-(3-thenyl)piperazin-4-ium-1-carbothioamide Formula: C15H24N3OS2+ MolecularWeight: 326.50056

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=S)N2CC[NH+](CC2)CC3=CSC=C3

Isomeric SMILES

C1C[C@H](OC1)CNC(=S)N2CC[NH+](CC2)CC3=CSC=C3

InChI

InChI=1S/C15H23N3OS2/c20-15(16-10-14-2-1-8-19-14)18-6-4-17(5-7-18)11-13-3-9-21-12-13/h3,9,12,14H,1-2,4-8,10-11H2,(H,16,20)/p+1/t14-/m0/s1