N-tert-butyl-2-[4-[2-(4-chlorophenyl)sulfanylethylcarbamothioyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[2-(4-chlorophenyl)sulfanylethylcarbamothioyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[2-(4-chlorophenyl)sulfanylethylcarbamothioyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[[2-[(4-chlorophenyl)thio]ethylamino]-sulfanylidenemethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[2-(4-chlorophenyl)sulfanylethylcarbamothioyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[2-[(4-chlorophenyl)thio]ethylthiocarbamoyl]piperazin-1-ium-1-yl]acetamide Formula: C19H30ClN4OS2+ MolecularWeight: 430.0507

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=S)NCCSC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=S)NCCSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C19H29ClN4OS2/c1-19(2,3)22-17(25)14-23-9-11-24(12-10-23)18(26)21-8-13-27-16-6-4-15(20)5-7-16/h4-7H,8-14H2,1-3H3,(H,21,26)(H,22,25)/p+1