[2,5-dimethyl-4-(3-phenylpropanoylamino)phenyl] thiocyanate

Systemtic Name: [2,5-dimethyl-4-(3-phenylpropanoylamino)phenyl] thiocyanate Openeye Name: [2,5-dimethyl-4-(3-phenylpropanoylamino)phenyl] thiocyanate CAS Name: thiocyanic acid [2,5-dimethyl-4-[(1-oxo-3-phenylpropyl)amino]phenyl] ester IUPAC Name: [2,5-dimethyl-4-(3-phenylpropanoylamino)phenyl] thiocyanate Traditional Name: thiocyanic acid [4-(hydrocinnamoylamino)-2,5-dimethyl-phenyl] ester Formula: C18H18N2OS MolecularWeight: 310.41332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1SC#N)C)NC(=O)CCC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(C=C1SC#N)C)NC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C18H18N2OS/c1-13-11-17(22-12-19)14(2)10-16(13)20-18(21)9-8-15-6-4-3-5-7-15/h3-7,10-11H,8-9H2,1-2H3,(H,20,21)