[(2R)-1-[[2-(2-cyanophenyl)sulfanylphenyl]carbonylamino]-3-phenyl-propan-2-yl]-dimethyl-azanium

Systemtic Name: [(2R)-1-[[2-(2-cyanophenyl)sulfanylphenyl]carbonylamino]-3-phenyl-propan-2-yl]-dimethyl-azanium Openeye Name: [(1R)-1-benzyl-2-[[2-(2-cyanophenyl)sulfanylbenzoyl]amino]ethyl]-dimethyl-ammonium CAS Name: [(2R)-1-[[[2-[(2-cyanophenyl)thio]phenyl]-oxomethyl]amino]-3-phenylpropan-2-yl]-dimethylammonium IUPAC Name: [(2R)-1-[[2-(2-cyanophenyl)sulfanylbenzoyl]amino]-3-phenylpropan-2-yl]-dimethylazanium Traditional Name: [(1R)-1-benzyl-2-[[2-[(2-cyanophenyl)thio]benzoyl]amino]ethyl]-dimethyl-ammonium Formula: C25H26N3OS+ MolecularWeight: 416.55844

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CC1=CC=CC=C1)CNC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N

Isomeric SMILES

C[NH+](C)[C@H](CC1=CC=CC=C1)CNC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N

InChI

InChI=1S/C25H25N3OS/c1-28(2)21(16-19-10-4-3-5-11-19)18-27-25(29)22-13-7-9-15-24(22)30-23-14-8-6-12-20(23)17-26/h3-15,21H,16,18H2,1-2H3,(H,27,29)/p+1/t21-/m1/s1