[(1S)-2-[[2-(2-cyanophenyl)sulfanylphenyl]carbonylamino]-1-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[[2-(2-cyanophenyl)sulfanylphenyl]carbonylamino]-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[[2-(2-cyanophenyl)sulfanylbenzoyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[[2-[(2-cyanophenyl)thio]phenyl]-oxomethyl]amino]-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-[[2-(2-cyanophenyl)sulfanylbenzoyl]amino]-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-[[2-[(2-cyanophenyl)thio]benzoyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C24H24N3OS+ MolecularWeight: 402.53186

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)C1=CC=CC=C1SC2=CC=CC=C2C#N)C3=CC=CC=C3

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)C1=CC=CC=C1SC2=CC=CC=C2C#N)C3=CC=CC=C3

InChI

InChI=1S/C24H23N3OS/c1-27(2)21(18-10-4-3-5-11-18)17-26-24(28)20-13-7-9-15-23(20)29-22-14-8-6-12-19(22)16-25/h3-15,21H,17H2,1-2H3,(H,26,28)/p+1/t21-/m1/s1