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

Systemtic Name: [(1S,2S)-1-(4-methylphenyl)-1-[(3-methylphenyl)amino]-3-naphthalen-1-yl-3-oxidanylidene-propan-2-yl] thiocyanate Openeye Name: [(1S)-1-[(S)-(3-methylanilino)-(p-tolyl)methyl]-2-(1-naphthyl)-2-oxo-ethyl] thiocyanate CAS Name: thiocyanic acid [(1S,2S)-1-(3-methylanilino)-1-(4-methylphenyl)-3-(1-naphthalenyl)-3-oxopropan-2-yl] ester IUPAC Name: [(1S,2S)-1-(3-methylanilino)-1-(4-methylphenyl)-3-naphthalen-1-yl-3-oxopropan-2-yl] thiocyanate Traditional Name: thiocyanic acid [(1S)-2-keto-1-[(S)-m-toluidino(p-tolyl)methyl]-2-(1-naphthyl)ethyl] ester Formula: C28H24N2OS MolecularWeight: 436.56796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(C(=O)C2=CC=CC3=CC=CC=C32)SC#N)NC4=CC=CC(=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H]([C@@H](C(=O)C2=CC=CC3=CC=CC=C32)SC#N)NC4=CC=CC(=C4)C

InChI

InChI=1S/C28H24N2OS/c1-19-13-15-22(16-14-19)26(30-23-10-5-7-20(2)17-23)28(32-18-29)27(31)25-12-6-9-21-8-3-4-11-24(21)25/h3-17,26,28,30H,1-2H3/t26-,28-/m0/s1