3-[[4-[(4-fluorophenyl)sulfonylamino]phenyl]carbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[4-[(4-fluorophenyl)sulfonylamino]phenyl]carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[4-[(4-fluorophenyl)sulfonylamino]phenyl]carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[4-[(4-fluorophenyl)sulfonylamino]anilino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[4-[(4-fluorophenyl)sulfonylamino]phenyl]carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[[4-[(4-fluorophenyl)sulfonylamino]phenyl]thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C18H24FN4O2S2+ MolecularWeight: 411.537163

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)NC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

C[NH+](C)CCCNC(=S)NC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C18H23FN4O2S2/c1-23(2)13-3-12-20-18(26)21-15-6-8-16(9-7-15)22-27(24,25)17-10-4-14(19)5-11-17/h4-11,22H,3,12-13H2,1-2H3,(H2,20,21,26)/p+1