2-[(4-fluorophenyl)methylcarbamothioylamino]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[(4-fluorophenyl)methylcarbamothioylamino]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[(4-fluorophenyl)methylcarbamothioylamino]ethyl-diisopropyl-ammonium CAS Name: 2-[[[(4-fluorophenyl)methylamino]-sulfanylidenemethyl]amino]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[(4-fluorophenyl)methylcarbamothioylamino]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[(4-fluorobenzyl)thiocarbamoylamino]ethyl-diisopropyl-ammonium Formula: C16H27FN3S+ MolecularWeight: 312.469083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCNC(=S)NCC1=CC=C(C=C1)F)C(C)C

Isomeric SMILES

CC(C)[NH+](CCNC(=S)NCC1=CC=C(C=C1)F)C(C)C

InChI

InChI=1S/C16H26FN3S/c1-12(2)20(13(3)4)10-9-18-16(21)19-11-14-5-7-15(17)8-6-14/h5-8,12-13H,9-11H2,1-4H3,(H2,18,19,21)/p+1