3-[(4-fluorophenyl)methylcarbamothioyl-(thiophen-2-ylmethyl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(4-fluorophenyl)methylcarbamothioyl-(thiophen-2-ylmethyl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(4-fluorophenyl)methylcarbamothioyl-(2-thienylmethyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[[(4-fluorophenyl)methylamino]-sulfanylidenemethyl]-(thiophen-2-ylmethyl)amino]propyl-dimethylammonium IUPAC Name: 3-[(4-fluorophenyl)methylcarbamothioyl-(thiophen-2-ylmethyl)amino]propyl-dimethylazanium Traditional Name: 3-[(4-fluorobenzyl)thiocarbamoyl-(2-thenyl)amino]propyl-dimethyl-ammonium Formula: C18H25FN3S2+ MolecularWeight: 366.539603

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(CC1=CC=CS1)C(=S)NCC2=CC=C(C=C2)F

Isomeric SMILES

C[NH+](C)CCCN(CC1=CC=CS1)C(=S)NCC2=CC=C(C=C2)F

InChI

InChI=1S/C18H24FN3S2/c1-21(2)10-4-11-22(14-17-5-3-12-24-17)18(23)20-13-15-6-8-16(19)9-7-15/h3,5-9,12H,4,10-11,13-14H2,1-2H3,(H,20,23)/p+1