4-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-(3-chloranyl-2-methyl-phenyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-(3-chloranyl-2-methyl-phenyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-4-ium-1-carbothioamide CAS Name: N-(3-chloro-2-methylphenyl)-4-[(3S)-1,1-dioxo-3-thiolanyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(3-chloro-2-methylphenyl)-4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-4-ium-1-carbothioamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-4-[(3S)-1,1-diketothiolan-3-yl]piperazin-4-ium-1-carbothioamide Formula: C16H23ClN3O2S2+ MolecularWeight: 388.95572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)N2CC[NH+](CC2)C3CCS(=O)(=O)C3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)N2CC[NH+](CC2)[C@H]3CCS(=O)(=O)C3

InChI

InChI=1S/C16H22ClN3O2S2/c1-12-14(17)3-2-4-15(12)18-16(23)20-8-6-19(7-9-20)13-5-10-24(21,22)11-13/h2-4,13H,5-11H2,1H3,(H,18,23)/p+1/t13-/m0/s1