[2,5-dimethyl-4-(2-phenylpropanoylamino)phenyl] thiocyanate

Systemtic Name: [2,5-dimethyl-4-(2-phenylpropanoylamino)phenyl] thiocyanate Openeye Name: [2,5-dimethyl-4-(2-phenylpropanoylamino)phenyl] thiocyanate CAS Name: thiocyanic acid [2,5-dimethyl-4-[(1-oxo-2-phenylpropyl)amino]phenyl] ester IUPAC Name: [2,5-dimethyl-4-(2-phenylpropanoylamino)phenyl] thiocyanate Traditional Name: thiocyanic acid [4-(hydratropoylamino)-2,5-dimethyl-phenyl] ester Formula: C18H18N2OS MolecularWeight: 310.41332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1SC#N)C)NC(=O)C(C)C2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(C=C1SC#N)C)NC(=O)C(C)C2=CC=CC=C2

InChI

InChI=1S/C18H18N2OS/c1-12-10-17(22-11-19)13(2)9-16(12)20-18(21)14(3)15-7-5-4-6-8-15/h4-10,14H,1-3H3,(H,20,21)