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

Systemtic Name: 2-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioylamino]ethyl-diethyl-azanium Openeye Name: 2-[(3-chloro-4-fluoro-phenyl)carbamothioylamino]ethyl-diethyl-ammonium CAS Name: 2-[[(3-chloro-4-fluoroanilino)-sulfanylidenemethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[(3-chloro-4-fluorophenyl)carbamothioylamino]ethyl-diethylazanium Traditional Name: 2-[(3-chloro-4-fluoro-phenyl)thiocarbamoylamino]ethyl-diethyl-ammonium Formula: C13H20ClFN3S+ MolecularWeight: 304.834403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19ClFN3S/c1-3-18(4-2)8-7-16-13(19)17-10-5-6-12(15)11(14)9-10/h5-6,9H,3-4,7-8H2,1-2H3,(H2,16,17,19)/p+1