[(1S)-1-(2-chlorophenyl)-2-[(4-nitrophenyl)carbamothioylamino]ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-1-(2-chlorophenyl)-2-[(4-nitrophenyl)carbamothioylamino]ethyl]-dimethyl-azanium Openeye Name: [(1S)-1-(2-chlorophenyl)-2-[(4-nitrophenyl)carbamothioylamino]ethyl]-dimethyl-ammonium CAS Name: [(1S)-1-(2-chlorophenyl)-2-[[(4-nitroanilino)-sulfanylidenemethyl]amino]ethyl]-dimethylammonium IUPAC Name: [(1S)-1-(2-chlorophenyl)-2-[(4-nitrophenyl)carbamothioylamino]ethyl]-dimethylazanium Traditional Name: [(1S)-1-(2-chlorophenyl)-2-[(4-nitrophenyl)thiocarbamoylamino]ethyl]-dimethyl-ammonium Formula: C17H20ClN4O2S+ MolecularWeight: 379.8843

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=S)NC1=CC=C(C=C1)[N+](=O)[O-])C2=CC=CC=C2Cl

Isomeric SMILES

C[NH+](C)[C@H](CNC(=S)NC1=CC=C(C=C1)[N+](=O)[O-])C2=CC=CC=C2Cl

InChI

InChI=1S/C17H19ClN4O2S/c1-21(2)16(14-5-3-4-6-15(14)18)11-19-17(25)20-12-7-9-13(10-8-12)22(23)24/h3-10,16H,11H2,1-2H3,(H2,19,20,25)/p+1/t16-/m1/s1