2-[4-(3-methoxypropylcarbamothioyl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethyloxy)phenyl]ethanamide

Systemtic Name: 2-[4-(3-methoxypropylcarbamothioyl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethyloxy)phenyl]ethanamide Openeye Name: 2-[4-(3-methoxypropylcarbamothioyl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide CAS Name: 2-[4-[(3-methoxypropylamino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]-N-[4-(trifluoromethoxy)phenyl]acetamide IUPAC Name: 2-[4-(3-methoxypropylcarbamothioyl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide Traditional Name: 2-[4-(3-methoxypropylthiocarbamoyl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide Formula: C18H26F3N4O3S+ MolecularWeight: 435.48425

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=S)N1CC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)OC(F)(F)F

Isomeric SMILES

COCCCNC(=S)N1CC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)OC(F)(F)F

InChI

InChI=1S/C18H25F3N4O3S/c1-27-12-2-7-22-17(29)25-10-8-24(9-11-25)13-16(26)23-14-3-5-15(6-4-14)28-18(19,20)21/h3-6H,2,7-13H2,1H3,(H,22,29)(H,23,26)/p+1