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

Systemtic Name: [1-[[(3-chloranyl-4-fluoranyl-phenyl)carbamothioylamino]methyl]-4-methyl-cyclohexyl]-dimethyl-azanium Openeye Name: [1-[[(3-chloro-4-fluoro-phenyl)carbamothioylamino]methyl]-4-methyl-cyclohexyl]-dimethyl-ammonium CAS Name: [1-[[[(3-chloro-4-fluoroanilino)-sulfanylidenemethyl]amino]methyl]-4-methylcyclohexyl]-dimethylammonium IUPAC Name: [1-[[(3-chloro-4-fluorophenyl)carbamothioylamino]methyl]-4-methylcyclohexyl]-dimethylazanium Traditional Name: [1-[[(3-chloro-4-fluoro-phenyl)thiocarbamoylamino]methyl]-4-methyl-cyclohexyl]-dimethyl-ammonium Formula: C17H26ClFN3S+ MolecularWeight: 358.924843

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)(CNC(=S)NC2=CC(=C(C=C2)F)Cl)[NH+](C)C

Isomeric SMILES

CC1CCC(CC1)(CNC(=S)NC2=CC(=C(C=C2)F)Cl)[NH+](C)C

InChI

InChI=1S/C17H25ClFN3S/c1-12-6-8-17(9-7-12,22(2)3)11-20-16(23)21-13-4-5-15(19)14(18)10-13/h4-5,10,12H,6-9,11H2,1-3H3,(H2,20,21,23)/p+1