1-[[4-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]piperazin-4-ium-1-yl]methyl]-3-butyl-benzimidazole-2-thione

Systemtic Name: 1-[[4-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]piperazin-4-ium-1-yl]methyl]-3-butyl-benzimidazole-2-thione Openeye Name: 1-butyl-3-[[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-4-ium-1-yl]methyl]benzimidazole-2-thione CAS Name: 1-butyl-3-[[4-[(3S)-1,1-dioxo-3-thiolanyl]-1-piperazin-4-iumyl]methyl]-2-benzimidazolethione IUPAC Name: 1-butyl-3-[[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-4-ium-1-yl]methyl]benzimidazole-2-thione Traditional Name: 1-butyl-3-[[4-[(3S)-1,1-diketothiolan-3-yl]piperazin-4-ium-1-yl]methyl]benzimidazole-2-thione Formula: C20H31N4O2S2+ MolecularWeight: 423.61574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2N(C1=S)CN3CC[NH+](CC3)C4CCS(=O)(=O)C4

Isomeric SMILES

CCCCN1C2=CC=CC=C2N(C1=S)CN3CC[NH+](CC3)[C@H]4CCS(=O)(=O)C4

InChI

InChI=1S/C20H30N4O2S2/c1-2-3-9-23-18-6-4-5-7-19(18)24(20(23)27)16-21-10-12-22(13-11-21)17-8-14-28(25,26)15-17/h4-7,17H,2-3,8-16H2,1H3/p+1/t17-/m0/s1