dimethyl-[(1S)-1-phenyl-2-[[4-(trifluoromethyloxy)phenyl]carbamothioylamino]ethyl]azanium

Systemtic Name: dimethyl-[(1S)-1-phenyl-2-[[4-(trifluoromethyloxy)phenyl]carbamothioylamino]ethyl]azanium Openeye Name: dimethyl-[(1S)-1-phenyl-2-[[4-(trifluoromethoxy)phenyl]carbamothioylamino]ethyl]ammonium CAS Name: dimethyl-[(1S)-1-phenyl-2-[[sulfanylidene-[4-(trifluoromethoxy)anilino]methyl]amino]ethyl]ammonium IUPAC Name: dimethyl-[(1S)-1-phenyl-2-[[4-(trifluoromethoxy)phenyl]carbamothioylamino]ethyl]azanium Traditional Name: dimethyl-[(1S)-1-phenyl-2-[[4-(trifluoromethoxy)phenyl]thiocarbamoylamino]ethyl]ammonium Formula: C18H21F3N3OS+ MolecularWeight: 384.43905

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20F3N3OS/c1-24(2)16(13-6-4-3-5-7-13)12-22-17(26)23-14-8-10-15(11-9-14)25-18(19,20)21/h3-11,16H,12H2,1-2H3,(H2,22,23,26)/p+1/t16-/m1/s1