3-[[2-cyanoethyl-[3-(trifluoromethyl)phenyl]carbamothioyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[2-cyanoethyl-[3-(trifluoromethyl)phenyl]carbamothioyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[2-cyanoethyl-[3-(trifluoromethyl)phenyl]carbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[N-(2-cyanoethyl)-3-(trifluoromethyl)anilino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[2-cyanoethyl-[3-(trifluoromethyl)phenyl]carbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[2-cyanoethyl-[3-(trifluoromethyl)phenyl]thiocarbamoyl]amino]propyl-dimethyl-ammonium Formula: C16H22F3N4S+ MolecularWeight: 359.43289

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)N(CCC#N)C1=CC=CC(=C1)C(F)(F)F

Isomeric SMILES

C[NH+](C)CCCNC(=S)N(CCC#N)C1=CC=CC(=C1)C(F)(F)F

InChI

InChI=1S/C16H21F3N4S/c1-22(2)10-5-9-21-15(24)23(11-4-8-20)14-7-3-6-13(12-14)16(17,18)19/h3,6-7,12H,4-5,9-11H2,1-2H3,(H,21,24)/p+1