N-(3-fluorophenyl)-2-[4-[(3-methoxyphenyl)carbamothioyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-fluorophenyl)-2-[4-[(3-methoxyphenyl)carbamothioyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-fluorophenyl)-2-[4-[(3-methoxyphenyl)carbamothioyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-fluorophenyl)-2-[4-[(3-methoxyanilino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-fluorophenyl)-2-[4-[(3-methoxyphenyl)carbamothioyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-fluorophenyl)-2-[4-[(3-methoxyphenyl)thiocarbamoyl]piperazin-1-ium-1-yl]acetamide Formula: C20H24FN4O2S+ MolecularWeight: 403.493563

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)N2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)F

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)N2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)F

InChI

InChI=1S/C20H23FN4O2S/c1-27-18-7-3-6-17(13-18)23-20(28)25-10-8-24(9-11-25)14-19(26)22-16-5-2-4-15(21)12-16/h2-7,12-13H,8-11,14H2,1H3,(H,22,26)(H,23,28)/p+1