[(2R)-1-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioylamino]propan-2-yl]-diethyl-azanium

Systemtic Name: [(2R)-1-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioylamino]propan-2-yl]-diethyl-azanium Openeye Name: [(1R)-2-[(3-chloro-4-fluoro-phenyl)carbamothioylamino]-1-methyl-ethyl]-diethyl-ammonium CAS Name: [(2R)-1-[[(3-chloro-4-fluoroanilino)-sulfanylidenemethyl]amino]propan-2-yl]-diethylammonium IUPAC Name: [(2R)-1-[(3-chloro-4-fluorophenyl)carbamothioylamino]propan-2-yl]-diethylazanium Traditional Name: [(1R)-2-[(3-chloro-4-fluoro-phenyl)thiocarbamoylamino]-1-methyl-ethyl]-diethyl-ammonium Formula: C14H22ClFN3S+ MolecularWeight: 318.860983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21ClFN3S/c1-4-19(5-2)10(3)9-17-14(20)18-11-6-7-13(16)12(15)8-11/h6-8,10H,4-5,9H2,1-3H3,(H2,17,18,20)/p+1/t10-/m1/s1