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

Systemtic Name: [(1S,2S)-1-[(4-methylphenyl)amino]-3-naphthalen-1-yl-3-oxidanylidene-1-phenyl-propan-2-yl] thiocyanate Openeye Name: [(1S)-1-[(S)-(4-methylanilino)-phenyl-methyl]-2-(1-naphthyl)-2-oxo-ethyl] thiocyanate CAS Name: thiocyanic acid [(1S,2S)-1-(4-methylanilino)-3-(1-naphthalenyl)-3-oxo-1-phenylpropan-2-yl] ester IUPAC Name: [(1S,2S)-1-(4-methylanilino)-3-naphthalen-1-yl-3-oxo-1-phenylpropan-2-yl] thiocyanate Traditional Name: thiocyanic acid [(1S,2S)-1-(1-naphthoyl)-2-phenyl-2-(p-toluidino)ethyl] ester Formula: C27H22N2OS MolecularWeight: 422.54138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(C2=CC=CC=C2)C(C(=O)C3=CC=CC4=CC=CC=C43)SC#N

Isomeric SMILES

CC1=CC=C(C=C1)N[C@@H](C2=CC=CC=C2)[C@@H](C(=O)C3=CC=CC4=CC=CC=C43)SC#N

InChI

InChI=1S/C27H22N2OS/c1-19-14-16-22(17-15-19)29-25(21-9-3-2-4-10-21)27(31-18-28)26(30)24-13-7-11-20-8-5-6-12-23(20)24/h2-17,25,27,29H,1H3/t25-,27-/m0/s1