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

Systemtic Name: dimethyl-[(2S)-2-phenyl-2-[[4-(trifluoromethyloxy)phenyl]carbamothioylamino]ethyl]azanium Openeye Name: dimethyl-[(2S)-2-phenyl-2-[[4-(trifluoromethoxy)phenyl]carbamothioylamino]ethyl]ammonium CAS Name: dimethyl-[(2S)-2-phenyl-2-[[sulfanylidene-[4-(trifluoromethoxy)anilino]methyl]amino]ethyl]ammonium IUPAC Name: dimethyl-[(2S)-2-phenyl-2-[[4-(trifluoromethoxy)phenyl]carbamothioylamino]ethyl]azanium Traditional Name: dimethyl-[(2S)-2-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)CC(C1=CC=CC=C1)NC(=S)NC2=CC=C(C=C2)OC(F)(F)F

Isomeric SMILES

C[NH+](C)C[C@H](C1=CC=CC=C1)NC(=S)NC2=CC=C(C=C2)OC(F)(F)F

InChI

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