3-[[3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazol-4-yl]carbonylamino]propyl-methyl-(phenylmethyl)azanium

Systemtic Name: 3-[[3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazol-4-yl]carbonylamino]propyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[3-[[3-(4-fluorophenyl)-2-thioxo-1H-imidazole-4-carbonyl]amino]propyl]-methyl-ammonium CAS Name: 3-[[[3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazol-4-yl]-oxomethyl]amino]propyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-[[3-(4-fluorophenyl)-2-sulfanylidene-1H-imidazole-4-carbonyl]amino]propyl]-methylazanium Traditional Name: benzyl-[3-[[3-(4-fluorophenyl)-2-thioxo-4-imidazoline-4-carbonyl]amino]propyl]-methyl-ammonium Formula: C21H24FN4OS+ MolecularWeight: 399.504863

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCNC(=O)C1=CNC(=S)N1C2=CC=C(C=C2)F)CC3=CC=CC=C3

Isomeric SMILES

C[NH+](CCCNC(=O)C1=CNC(=S)N1C2=CC=C(C=C2)F)CC3=CC=CC=C3

InChI

InChI=1S/C21H23FN4OS/c1-25(15-16-6-3-2-4-7-16)13-5-12-23-20(27)19-14-24-21(28)26(19)18-10-8-17(22)9-11-18/h2-4,6-11,14H,5,12-13,15H2,1H3,(H,23,27)(H,24,28)/p+1