[(2S,3S)-1-naphthalen-1-yl-1-oxidanylidene-3-phenylazanyl-3-(4-propan-2-ylphenyl)propan-2-yl] thiocyanate

Systemtic Name: [(2S,3S)-1-naphthalen-1-yl-1-oxidanylidene-3-phenylazanyl-3-(4-propan-2-ylphenyl)propan-2-yl] thiocyanate Openeye Name: [(1S)-1-[(S)-anilino-(4-isopropylphenyl)methyl]-2-(1-naphthyl)-2-oxo-ethyl] thiocyanate CAS Name: thiocyanic acid [(1S,2S)-1-anilino-3-(1-naphthalenyl)-3-oxo-1-(4-propan-2-ylphenyl)propan-2-yl] ester IUPAC Name: [(1S,2S)-1-anilino-3-naphthalen-1-yl-3-oxo-1-(4-propan-2-ylphenyl)propan-2-yl] thiocyanate Traditional Name: thiocyanic acid [(1S)-1-[(S)-anilino(p-cumenyl)methyl]-2-keto-2-(1-naphthyl)ethyl] ester Formula: C29H26N2OS MolecularWeight: 450.59454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(C(C(=O)C2=CC=CC3=CC=CC=C32)SC#N)NC4=CC=CC=C4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)[C@@H]([C@@H](C(=O)C2=CC=CC3=CC=CC=C32)SC#N)NC4=CC=CC=C4

InChI

InChI=1S/C29H26N2OS/c1-20(2)21-15-17-23(18-16-21)27(31-24-11-4-3-5-12-24)29(33-19-30)28(32)26-14-8-10-22-9-6-7-13-25(22)26/h3-18,20,27,29,31H,1-2H3/t27-,29-/m0/s1