4-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-(3-methylphenyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-(3-methylphenyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(3S)-1,1-dioxothiolan-3-yl]-N-(m-tolyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-[(3S)-1,1-dioxo-3-thiolanyl]-N-(3-methylphenyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(3S)-1,1-dioxothiolan-3-yl]-N-(3-methylphenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-[(3S)-1,1-diketothiolan-3-yl]-N-(m-tolyl)piperazin-4-ium-1-carbothioamide Formula: C16H24N3O2S2+ MolecularWeight: 354.51066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)N2CC[NH+](CC2)C3CCS(=O)(=O)C3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)N2CC[NH+](CC2)[C@H]3CCS(=O)(=O)C3

InChI

InChI=1S/C16H23N3O2S2/c1-13-3-2-4-14(11-13)17-16(22)19-8-6-18(7-9-19)15-5-10-23(20,21)12-15/h2-4,11,15H,5-10,12H2,1H3,(H,17,22)/p+1/t15-/m0/s1