3-[(3-fluoranyl-4-methyl-phenyl)carbamothioyl-(thiophen-2-ylmethyl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(3-fluoranyl-4-methyl-phenyl)carbamothioyl-(thiophen-2-ylmethyl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(3-fluoro-4-methyl-phenyl)carbamothioyl-(2-thienylmethyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[(3-fluoro-4-methylanilino)-sulfanylidenemethyl]-(thiophen-2-ylmethyl)amino]propyl-dimethylammonium IUPAC Name: 3-[(3-fluoro-4-methylphenyl)carbamothioyl-(thiophen-2-ylmethyl)amino]propyl-dimethylazanium Traditional Name: 3-[(3-fluoro-4-methyl-phenyl)thiocarbamoyl-(2-thenyl)amino]propyl-dimethyl-ammonium Formula: C18H25FN3S2+ MolecularWeight: 366.539603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N(CCC[NH+](C)C)CC2=CC=CS2)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N(CCC[NH+](C)C)CC2=CC=CS2)F

InChI

InChI=1S/C18H24FN3S2/c1-14-7-8-15(12-17(14)19)20-18(23)22(10-5-9-21(2)3)13-16-6-4-11-24-16/h4,6-8,11-12H,5,9-10,13H2,1-3H3,(H,20,23)/p+1