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

Systemtic Name: dimethyl-[(2S)-2-[(4-nitrophenyl)carbamothioylamino]-2-phenyl-ethyl]azanium Openeye Name: dimethyl-[(2S)-2-[(4-nitrophenyl)carbamothioylamino]-2-phenyl-ethyl]ammonium CAS Name: dimethyl-[(2S)-2-[[(4-nitroanilino)-sulfanylidenemethyl]amino]-2-phenylethyl]ammonium IUPAC Name: dimethyl-[(2S)-2-[(4-nitrophenyl)carbamothioylamino]-2-phenylethyl]azanium Traditional Name: dimethyl-[(2S)-2-[(4-nitrophenyl)thiocarbamoylamino]-2-phenyl-ethyl]ammonium Formula: C17H21N4O2S+ MolecularWeight: 345.43924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O2S/c1-20(2)12-16(13-6-4-3-5-7-13)19-17(24)18-14-8-10-15(11-9-14)21(22)23/h3-11,16H,12H2,1-2H3,(H2,18,19,24)/p+1/t16-/m1/s1