methyl-[(4-methylsulfanylphenyl)methyl]-[(2S)-1-oxidanylidene-1-[(2-phenylphenyl)amino]propan-2-yl]azanium

Systemtic Name: methyl-[(4-methylsulfanylphenyl)methyl]-[(2S)-1-oxidanylidene-1-[(2-phenylphenyl)amino]propan-2-yl]azanium Openeye Name: methyl-[(1S)-1-methyl-2-oxo-2-(2-phenylanilino)ethyl]-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: methyl-[[4-(methylthio)phenyl]methyl]-[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl]ammonium IUPAC Name: methyl-[(4-methylsulfanylphenyl)methyl]-[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl]azanium Traditional Name: [(1S)-2-keto-1-methyl-2-(2-phenylanilino)ethyl]-methyl-[4-(methylthio)benzyl]ammonium Formula: C24H27N2OS+ MolecularWeight: 391.54898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C2=CC=CC=C2)[NH+](C)CC3=CC=C(C=C3)SC

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1C2=CC=CC=C2)[NH+](C)CC3=CC=C(C=C3)SC

InChI

InChI=1S/C24H26N2OS/c1-18(26(2)17-19-13-15-21(28-3)16-14-19)24(27)25-23-12-8-7-11-22(23)20-9-5-4-6-10-20/h4-16,18H,17H2,1-3H3,(H,25,27)/p+1/t18-/m0/s1