N-tert-butyl-2-[4-[2-[(4-fluorophenyl)carbamothioyl-methyl-amino]ethanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[2-[(4-fluorophenyl)carbamothioyl-methyl-amino]ethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[2-[(4-fluorophenyl)carbamothioyl-methyl-amino]acetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[2-[[(4-fluoroanilino)-sulfanylidenemethyl]-methylamino]-1-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[2-[(4-fluorophenyl)carbamothioyl-methylamino]acetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[2-[(4-fluorophenyl)thiocarbamoyl-methyl-amino]acetyl]piperazin-1-ium-1-yl]acetamide Formula: C20H31FN5O2S+ MolecularWeight: 424.555843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)CN(C)C(=S)NC2=CC=C(C=C2)F

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)CN(C)C(=S)NC2=CC=C(C=C2)F

InChI

InChI=1S/C20H30FN5O2S/c1-20(2,3)23-17(27)13-25-9-11-26(12-10-25)18(28)14-24(4)19(29)22-16-7-5-15(21)6-8-16/h5-8H,9-14H2,1-4H3,(H,22,29)(H,23,27)/p+1