N-(3-fluorophenyl)-2-[4-(3-morpholin-4-ium-4-ylpropylcarbamothioyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-fluorophenyl)-2-[4-(3-morpholin-4-ium-4-ylpropylcarbamothioyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-fluorophenyl)-2-[4-(3-morpholin-4-ium-4-ylpropylcarbamothioyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-fluorophenyl)-2-[4-[[3-(4-morpholin-4-iumyl)propylamino]-sulfanylidenemethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-fluorophenyl)-2-[4-(3-morpholin-4-ium-4-ylpropylcarbamothioyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-fluorophenyl)-2-[4-(3-morpholin-4-ium-4-ylpropylthiocarbamoyl)piperazin-1-ium-1-yl]acetamide Formula: C20H32FN5O2S+2 MolecularWeight: 425.563783

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC(=CC=C2)F)C(=S)NCCC[NH+]3CCOCC3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC(=CC=C2)F)C(=S)NCCC[NH+]3CCOCC3

InChI

InChI=1S/C20H30FN5O2S/c21-17-3-1-4-18(15-17)23-19(27)16-25-7-9-26(10-8-25)20(29)22-5-2-6-24-11-13-28-14-12-24/h1,3-4,15H,2,5-14,16H2,(H,22,29)(H,23,27)/p+2