dimethyl-[(1S)-1-phenyl-2-[[2-(thiophen-2-ylmethylsulfanyl)phenyl]carbonylamino]ethyl]azanium

Systemtic Name: dimethyl-[(1S)-1-phenyl-2-[[2-(thiophen-2-ylmethylsulfanyl)phenyl]carbonylamino]ethyl]azanium Openeye Name: dimethyl-[(1S)-1-phenyl-2-[[2-(2-thienylmethylsulfanyl)benzoyl]amino]ethyl]ammonium CAS Name: dimethyl-[(1S)-2-[[oxo-[2-(thiophen-2-ylmethylthio)phenyl]methyl]amino]-1-phenylethyl]ammonium IUPAC Name: dimethyl-[(1S)-1-phenyl-2-[[2-(thiophen-2-ylmethylsulfanyl)benzoyl]amino]ethyl]azanium Traditional Name: dimethyl-[(1S)-1-phenyl-2-[[2-(2-thenylthio)benzoyl]amino]ethyl]ammonium Formula: C22H25N2OS2+ MolecularWeight: 397.5767

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)C1=CC=CC=C1SCC2=CC=CS2)C3=CC=CC=C3

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)C1=CC=CC=C1SCC2=CC=CS2)C3=CC=CC=C3

InChI

InChI=1S/C22H24N2OS2/c1-24(2)20(17-9-4-3-5-10-17)15-23-22(25)19-12-6-7-13-21(19)27-16-18-11-8-14-26-18/h3-14,20H,15-16H2,1-2H3,(H,23,25)/p+1/t20-/m1/s1