2-[2-[[(2-fluorophenyl)methyl-(phenylmethyl)carbamothioyl]amino]ethanoylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[2-[[(2-fluorophenyl)methyl-(phenylmethyl)carbamothioyl]amino]ethanoylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[2-[[benzyl-[(2-fluorophenyl)methyl]carbamothioyl]amino]acetyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[2-[[[(2-fluorophenyl)methyl-(phenylmethyl)amino]-sulfanylidenemethyl]amino]-1-oxoethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[2-[[benzyl-[(2-fluorophenyl)methyl]carbamothioyl]amino]acetyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[2-[[benzyl-(2-fluorobenzyl)thiocarbamoyl]amino]acetyl]amino]ethyl-dimethyl-ammonium Formula: C21H28FN4OS+ MolecularWeight: 403.536623

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=O)CNC(=S)N(CC1=CC=CC=C1)CC2=CC=CC=C2F

Isomeric SMILES

C[NH+](C)CCNC(=O)CNC(=S)N(CC1=CC=CC=C1)CC2=CC=CC=C2F

InChI

InChI=1S/C21H27FN4OS/c1-25(2)13-12-23-20(27)14-24-21(28)26(15-17-8-4-3-5-9-17)16-18-10-6-7-11-19(18)22/h3-11H,12-16H2,1-2H3,(H,23,27)(H,24,28)/p+1