[(2S)-2-[(2-chloranyl-5-nitro-phenyl)carbamothioylamino]-2-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(2S)-2-[(2-chloranyl-5-nitro-phenyl)carbamothioylamino]-2-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(2S)-2-[(2-chloro-5-nitro-phenyl)carbamothioylamino]-2-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(2S)-2-[[(2-chloro-5-nitroanilino)-sulfanylidenemethyl]amino]-2-phenylethyl]-dimethylammonium IUPAC Name: [(2S)-2-[(2-chloro-5-nitrophenyl)carbamothioylamino]-2-phenylethyl]-dimethylazanium Traditional Name: [(2S)-2-[(2-chloro-5-nitro-phenyl)thiocarbamoylamino]-2-phenyl-ethyl]-dimethyl-ammonium Formula: C17H20ClN4O2S+ MolecularWeight: 379.8843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[NH+](C)C[C@H](C1=CC=CC=C1)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

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