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

Systemtic Name: 4-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-(4-butylphenyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-(4-butylphenyl)-4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-4-ium-1-carbothioamide CAS Name: N-(4-butylphenyl)-4-[(3S)-1,1-dioxo-3-thiolanyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(4-butylphenyl)-4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-4-ium-1-carbothioamide Traditional Name: N-(4-butylphenyl)-4-[(3S)-1,1-diketothiolan-3-yl]piperazin-4-ium-1-carbothioamide Formula: C19H30N3O2S2+ MolecularWeight: 396.5904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)N2CC[NH+](CC2)C3CCS(=O)(=O)C3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)N2CC[NH+](CC2)[C@H]3CCS(=O)(=O)C3

InChI

InChI=1S/C19H29N3O2S2/c1-2-3-4-16-5-7-17(8-6-16)20-19(25)22-12-10-21(11-13-22)18-9-14-26(23,24)15-18/h5-8,18H,2-4,9-15H2,1H3,(H,20,25)/p+1/t18-/m0/s1