diethyl-[[4-[[(4-fluorophenyl)methylcarbamothioylamino]methyl]phenyl]methyl]azanium

Systemtic Name: diethyl-[[4-[[(4-fluorophenyl)methylcarbamothioylamino]methyl]phenyl]methyl]azanium Openeye Name: diethyl-[[4-[[(4-fluorophenyl)methylcarbamothioylamino]methyl]phenyl]methyl]ammonium CAS Name: diethyl-[[4-[[[[(4-fluorophenyl)methylamino]-sulfanylidenemethyl]amino]methyl]phenyl]methyl]ammonium IUPAC Name: diethyl-[[4-[[(4-fluorophenyl)methylcarbamothioylamino]methyl]phenyl]methyl]azanium Traditional Name: diethyl-[4-[[(4-fluorobenzyl)thiocarbamoylamino]methyl]benzyl]ammonium Formula: C20H27FN3S+ MolecularWeight: 360.511883

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=S)NCC2=CC=C(C=C2)F

Isomeric SMILES

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=S)NCC2=CC=C(C=C2)F

InChI

InChI=1S/C20H26FN3S/c1-3-24(4-2)15-18-7-5-16(6-8-18)13-22-20(25)23-14-17-9-11-19(21)12-10-17/h5-12H,3-4,13-15H2,1-2H3,(H2,22,23,25)/p+1