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

Systemtic Name: [4-[2-(3,5-dimethylphenoxy)butanoylamino]phenyl] thiocyanate Openeye Name: [4-[2-(3,5-dimethylphenoxy)butanoylamino]phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[2-(3,5-dimethylphenoxy)-1-oxobutyl]amino]phenyl] ester IUPAC Name: [4-[2-(3,5-dimethylphenoxy)butanoylamino]phenyl] thiocyanate Traditional Name: thiocyanic acid [4-[2-(3,5-dimethylphenoxy)butanoylamino]phenyl] ester Formula: C19H20N2O2S MolecularWeight: 340.4393

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)SC#N)OC2=CC(=CC(=C2)C)C

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)SC#N)OC2=CC(=CC(=C2)C)C

InChI

InChI=1S/C19H20N2O2S/c1-4-18(23-16-10-13(2)9-14(3)11-16)19(22)21-15-5-7-17(8-6-15)24-12-20/h5-11,18H,4H2,1-3H3,(H,21,22)