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

Systemtic Name: dimethyl-[(1S)-1-pyridin-3-yl-2-[[3-(trifluoromethyl)phenyl]carbamothioylamino]ethyl]azanium Openeye Name: dimethyl-[(1S)-1-(3-pyridyl)-2-[[3-(trifluoromethyl)phenyl]carbamothioylamino]ethyl]ammonium CAS Name: dimethyl-[(1S)-1-(3-pyridinyl)-2-[[sulfanylidene-[3-(trifluoromethyl)anilino]methyl]amino]ethyl]ammonium IUPAC Name: dimethyl-[(1S)-1-pyridin-3-yl-2-[[3-(trifluoromethyl)phenyl]carbamothioylamino]ethyl]azanium Traditional Name: dimethyl-[(1S)-1-(3-pyridyl)-2-[[3-(trifluoromethyl)phenyl]thiocarbamoylamino]ethyl]ammonium Formula: C17H20F3N4S+ MolecularWeight: 369.42771

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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=CN=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C17H19F3N4S/c1-24(2)15(12-5-4-8-21-10-12)11-22-16(25)23-14-7-3-6-13(9-14)17(18,19)20/h3-10,15H,11H2,1-2H3,(H2,22,23,25)/p+1/t15-/m1/s1