(2S)-4-methyl-2-phenyl-N-(2-phenylsulfanylethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: (2S)-4-methyl-2-phenyl-N-(2-phenylsulfanylethyl)piperazin-4-ium-1-carbothioamide Openeye Name: (2S)-4-methyl-2-phenyl-N-(2-phenylsulfanylethyl)piperazin-4-ium-1-carbothioamide CAS Name: (2S)-4-methyl-2-phenyl-N-[2-(phenylthio)ethyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: (2S)-4-methyl-2-phenyl-N-(2-phenylsulfanylethyl)piperazin-4-ium-1-carbothioamide Traditional Name: (2S)-4-methyl-2-phenyl-N-[2-(phenylthio)ethyl]piperazin-4-ium-1-carbothioamide Formula: C20H26N3S2+ MolecularWeight: 372.57054

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(C(C1)C2=CC=CC=C2)C(=S)NCCSC3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCN([C@H](C1)C2=CC=CC=C2)C(=S)NCCSC3=CC=CC=C3

InChI

InChI=1S/C20H25N3S2/c1-22-13-14-23(19(16-22)17-8-4-2-5-9-17)20(24)21-12-15-25-18-10-6-3-7-11-18/h2-11,19H,12-16H2,1H3,(H,21,24)/p+1/t19-/m1/s1