[1-[[(2-chloranyl-5-nitro-phenyl)carbamothioylamino]methyl]cyclohexyl]-dimethyl-azanium

Systemtic Name: [1-[[(2-chloranyl-5-nitro-phenyl)carbamothioylamino]methyl]cyclohexyl]-dimethyl-azanium Openeye Name: [1-[[(2-chloro-5-nitro-phenyl)carbamothioylamino]methyl]cyclohexyl]-dimethyl-ammonium CAS Name: [1-[[[(2-chloro-5-nitroanilino)-sulfanylidenemethyl]amino]methyl]cyclohexyl]-dimethylammonium IUPAC Name: [1-[[(2-chloro-5-nitrophenyl)carbamothioylamino]methyl]cyclohexyl]-dimethylazanium Traditional Name: [1-[[(2-chloro-5-nitro-phenyl)thiocarbamoylamino]methyl]cyclohexyl]-dimethyl-ammonium Formula: C16H24ClN4O2S+ MolecularWeight: 371.90536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23ClN4O2S/c1-20(2)16(8-4-3-5-9-16)11-18-15(24)19-14-10-12(21(22)23)6-7-13(14)17/h6-7,10H,3-5,8-9,11H2,1-2H3,(H2,18,19,24)/p+1