2-[(2-fluoranylphenoxy)methyl]-N-[2-(3-phenylpropanoylamino)ethyl]-1,3-thiazole-4-carboxamide

Systemtic Name: 2-[(2-fluoranylphenoxy)methyl]-N-[2-(3-phenylpropanoylamino)ethyl]-1,3-thiazole-4-carboxamide Openeye Name: 2-[(2-fluorophenoxy)methyl]-N-[2-(3-phenylpropanoylamino)ethyl]thiazole-4-carboxamide CAS Name: 2-[(2-fluorophenoxy)methyl]-N-[2-[(1-oxo-3-phenylpropyl)amino]ethyl]-4-thiazolecarboxamide IUPAC Name: 2-[(2-fluorophenoxy)methyl]-N-[2-(3-phenylpropanoylamino)ethyl]-1,3-thiazole-4-carboxamide Traditional Name: 2-[(2-fluorophenoxy)methyl]-N-[2-(hydrocinnamoylamino)ethyl]thiazole-4-carboxamide Formula: C22H22FN3O3S MolecularWeight: 427.491783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NCCNC(=O)C2=CSC(=N2)COC3=CC=CC=C3F

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NCCNC(=O)C2=CSC(=N2)COC3=CC=CC=C3F

InChI

InChI=1S/C22H22FN3O3S/c23-17-8-4-5-9-19(17)29-14-21-26-18(15-30-21)22(28)25-13-12-24-20(27)11-10-16-6-2-1-3-7-16/h1-9,15H,10-14H2,(H,24,27)(H,25,28)