2-[(3,5-dimethylphenoxy)methyl]-N-[2-(pentanoylamino)ethyl]-1,3-thiazole-4-carboxamide

Systemtic Name: 2-[(3,5-dimethylphenoxy)methyl]-N-[2-(pentanoylamino)ethyl]-1,3-thiazole-4-carboxamide Openeye Name: 2-[(3,5-dimethylphenoxy)methyl]-N-[2-(pentanoylamino)ethyl]thiazole-4-carboxamide CAS Name: 2-[(3,5-dimethylphenoxy)methyl]-N-[2-(1-oxopentylamino)ethyl]-4-thiazolecarboxamide IUPAC Name: 2-[(3,5-dimethylphenoxy)methyl]-N-[2-(pentanoylamino)ethyl]-1,3-thiazole-4-carboxamide Traditional Name: 2-[(3,5-dimethylphenoxy)methyl]-N-[2-(valerylamino)ethyl]thiazole-4-carboxamide Formula: C20H27N3O3S MolecularWeight: 389.51168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NCCNC(=O)C1=CSC(=N1)COC2=CC(=CC(=C2)C)C

Isomeric SMILES

CCCCC(=O)NCCNC(=O)C1=CSC(=N1)COC2=CC(=CC(=C2)C)C

InChI

InChI=1S/C20H27N3O3S/c1-4-5-6-18(24)21-7-8-22-20(25)17-13-27-19(23-17)12-26-16-10-14(2)9-15(3)11-16/h9-11,13H,4-8,12H2,1-3H3,(H,21,24)(H,22,25)