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

Systemtic Name: [4-[3-(3,5-dimethylphenoxy)propanoylamino]phenyl] thiocyanate Openeye Name: [4-[3-(3,5-dimethylphenoxy)propanoylamino]phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[3-(3,5-dimethylphenoxy)-1-oxopropyl]amino]phenyl] ester IUPAC Name: [4-[3-(3,5-dimethylphenoxy)propanoylamino]phenyl] thiocyanate Traditional Name: thiocyanic acid [4-[3-(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)OCCC(=O)NC2=CC=C(C=C2)SC#N)C

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O2S/c1-13-9-14(2)11-16(10-13)22-8-7-18(21)20-15-3-5-17(6-4-15)23-12-19/h3-6,9-11H,7-8H2,1-2H3,(H,20,21)