1-[4-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]piperazin-4-ium-1-yl]-2-naphthalen-2-ylsulfanyl-ethanone

Systemtic Name: 1-[4-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]piperazin-4-ium-1-yl]-2-naphthalen-2-ylsulfanyl-ethanone Openeye Name: 1-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-4-ium-1-yl]-2-(2-naphthylsulfanyl)ethanone CAS Name: 1-[4-[(3S)-1,1-dioxo-3-thiolanyl]-1-piperazin-4-iumyl]-2-(2-naphthalenylthio)ethanone IUPAC Name: 1-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-4-ium-1-yl]-2-naphthalen-2-ylsulfanylethanone Traditional Name: 1-[4-[(3S)-1,1-diketothiolan-3-yl]piperazin-4-ium-1-yl]-2-(2-naphthylthio)ethanone Formula: C20H25N2O3S2+ MolecularWeight: 405.5541

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1[NH+]2CCN(CC2)C(=O)CSC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1[NH+]2CCN(CC2)C(=O)CSC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C20H24N2O3S2/c23-20(14-26-19-6-5-16-3-1-2-4-17(16)13-19)22-10-8-21(9-11-22)18-7-12-27(24,25)15-18/h1-6,13,18H,7-12,14-15H2/p+1/t18-/m0/s1