[1-[[(3-chloranyl-4-fluoranyl-phenyl)carbamothioylamino]methyl]cyclohexyl]-diethyl-azanium

Systemtic Name: [1-[[(3-chloranyl-4-fluoranyl-phenyl)carbamothioylamino]methyl]cyclohexyl]-diethyl-azanium Openeye Name: [1-[[(3-chloro-4-fluoro-phenyl)carbamothioylamino]methyl]cyclohexyl]-diethyl-ammonium CAS Name: [1-[[[(3-chloro-4-fluoroanilino)-sulfanylidenemethyl]amino]methyl]cyclohexyl]-diethylammonium IUPAC Name: [1-[[(3-chloro-4-fluorophenyl)carbamothioylamino]methyl]cyclohexyl]-diethylazanium Traditional Name: [1-[[(3-chloro-4-fluoro-phenyl)thiocarbamoylamino]methyl]cyclohexyl]-diethyl-ammonium Formula: C18H28ClFN3S+ MolecularWeight: 372.951423

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C1(CCCCC1)CNC(=S)NC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

CC[NH+](CC)C1(CCCCC1)CNC(=S)NC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C18H27ClFN3S/c1-3-23(4-2)18(10-6-5-7-11-18)13-21-17(24)22-14-8-9-16(20)15(19)12-14/h8-9,12H,3-7,10-11,13H2,1-2H3,(H2,21,22,24)/p+1