[4-[2-(3,5-dimethylphenoxy)propanoylamino]phenyl] thiocyanate

Systemtic Name: [4-[2-(3,5-dimethylphenoxy)propanoylamino]phenyl] thiocyanate Openeye Name: [4-[2-(3,5-dimethylphenoxy)propanoylamino]phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[2-(3,5-dimethylphenoxy)-1-oxopropyl]amino]phenyl] ester IUPAC Name: [4-[2-(3,5-dimethylphenoxy)propanoylamino]phenyl] thiocyanate Traditional Name: thiocyanic acid [4-[2-(3,5-dimethylphenoxy)propanoylamino]phenyl] ester Formula: C18H18N2O2S MolecularWeight: 326.41272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC(C)C(=O)NC2=CC=C(C=C2)SC#N)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC(C)C(=O)NC2=CC=C(C=C2)SC#N)C

InChI

InChI=1S/C18H18N2O2S/c1-12-8-13(2)10-16(9-12)22-14(3)18(21)20-15-4-6-17(7-5-15)23-11-19/h4-10,14H,1-3H3,(H,20,21)