dimethyl-[(1S)-1-phenyl-2-[[3-(trifluoromethyl)phenyl]carbamothioylamino]ethyl]azanium

Systemtic Name: dimethyl-[(1S)-1-phenyl-2-[[3-(trifluoromethyl)phenyl]carbamothioylamino]ethyl]azanium Openeye Name: dimethyl-[(1S)-1-phenyl-2-[[3-(trifluoromethyl)phenyl]carbamothioylamino]ethyl]ammonium CAS Name: dimethyl-[(1S)-1-phenyl-2-[[sulfanylidene-[3-(trifluoromethyl)anilino]methyl]amino]ethyl]ammonium IUPAC Name: dimethyl-[(1S)-1-phenyl-2-[[3-(trifluoromethyl)phenyl]carbamothioylamino]ethyl]azanium Traditional Name: dimethyl-[(1S)-1-phenyl-2-[[3-(trifluoromethyl)phenyl]thiocarbamoylamino]ethyl]ammonium Formula: C18H21F3N3S+ MolecularWeight: 368.43965

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=S)NC1=CC=CC(=C1)C(F)(F)F)C2=CC=CC=C2

Isomeric SMILES

C[NH+](C)[C@H](CNC(=S)NC1=CC=CC(=C1)C(F)(F)F)C2=CC=CC=C2

InChI

InChI=1S/C18H20F3N3S/c1-24(2)16(13-7-4-3-5-8-13)12-22-17(25)23-15-10-6-9-14(11-15)18(19,20)21/h3-11,16H,12H2,1-2H3,(H2,22,23,25)/p+1/t16-/m1/s1