[2-[[(3-chloranyl-4-fluoranyl-phenyl)carbamothioylamino]methyl]phenyl]methyl-diethyl-azanium

Systemtic Name: [2-[[(3-chloranyl-4-fluoranyl-phenyl)carbamothioylamino]methyl]phenyl]methyl-diethyl-azanium Openeye Name: [2-[[(3-chloro-4-fluoro-phenyl)carbamothioylamino]methyl]phenyl]methyl-diethyl-ammonium CAS Name: [2-[[[(3-chloro-4-fluoroanilino)-sulfanylidenemethyl]amino]methyl]phenyl]methyl-diethylammonium IUPAC Name: [2-[[(3-chloro-4-fluorophenyl)carbamothioylamino]methyl]phenyl]methyl-diethylazanium Traditional Name: [2-[[(3-chloro-4-fluoro-phenyl)thiocarbamoylamino]methyl]benzyl]-diethyl-ammonium Formula: C19H24ClFN3S+ MolecularWeight: 380.930363

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=CC=C1CNC(=S)NC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

CC[NH+](CC)CC1=CC=CC=C1CNC(=S)NC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C19H23ClFN3S/c1-3-24(4-2)13-15-8-6-5-7-14(15)12-22-19(25)23-16-9-10-18(21)17(20)11-16/h5-11H,3-4,12-13H2,1-2H3,(H2,22,23,25)/p+1