butyl-[3-[(2-fluorophenyl)carbamothioyl-(furan-2-ylmethyl)amino]propyl]-methyl-azanium

Systemtic Name: butyl-[3-[(2-fluorophenyl)carbamothioyl-(furan-2-ylmethyl)amino]propyl]-methyl-azanium Openeye Name: butyl-[3-[(2-fluorophenyl)carbamothioyl-(2-furylmethyl)amino]propyl]-methyl-ammonium CAS Name: butyl-[3-[[(2-fluoroanilino)-sulfanylidenemethyl]-(2-furanylmethyl)amino]propyl]-methylammonium IUPAC Name: butyl-[3-[(2-fluorophenyl)carbamothioyl-(furan-2-ylmethyl)amino]propyl]-methylazanium Traditional Name: butyl-[3-[(2-fluorophenyl)thiocarbamoyl-(2-furfuryl)amino]propyl]-methyl-ammonium Formula: C20H29FN3OS+ MolecularWeight: 378.527163

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](C)CCCN(CC1=CC=CO1)C(=S)NC2=CC=CC=C2F

Isomeric SMILES

CCCC[NH+](C)CCCN(CC1=CC=CO1)C(=S)NC2=CC=CC=C2F

InChI

InChI=1S/C20H28FN3OS/c1-3-4-12-23(2)13-8-14-24(16-17-9-7-15-25-17)20(26)22-19-11-6-5-10-18(19)21/h5-7,9-11,15H,3-4,8,12-14,16H2,1-2H3,(H,22,26)/p+1