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

Systemtic Name: dimethyl-[(1S)-2-[(4-nitrophenyl)carbamothioylamino]-1-phenyl-ethyl]azanium Openeye Name: dimethyl-[(1S)-2-[(4-nitrophenyl)carbamothioylamino]-1-phenyl-ethyl]ammonium CAS Name: dimethyl-[(1S)-2-[[(4-nitroanilino)-sulfanylidenemethyl]amino]-1-phenylethyl]ammonium IUPAC Name: dimethyl-[(1S)-2-[(4-nitrophenyl)carbamothioylamino]-1-phenylethyl]azanium Traditional Name: dimethyl-[(1S)-2-[(4-nitrophenyl)thiocarbamoylamino]-1-phenyl-ethyl]ammonium Formula: C17H21N4O2S+ MolecularWeight: 345.43924

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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=C2

Isomeric SMILES

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

InChI

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