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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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