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

Systemtic Name: 2-[(3,5-dimethylphenoxy)methyl]-N-[2-(hexanoylamino)ethyl]-1,3-thiazole-4-carboxamide Openeye Name: 2-[(3,5-dimethylphenoxy)methyl]-N-[2-(hexanoylamino)ethyl]thiazole-4-carboxamide CAS Name: 2-[(3,5-dimethylphenoxy)methyl]-N-[2-(1-oxohexylamino)ethyl]-4-thiazolecarboxamide IUPAC Name: 2-[(3,5-dimethylphenoxy)methyl]-N-[2-(hexanoylamino)ethyl]-1,3-thiazole-4-carboxamide Traditional Name: N-[2-(caproylamino)ethyl]-2-[(3,5-dimethylphenoxy)methyl]thiazole-4-carboxamide Formula: C21H29N3O3S MolecularWeight: 403.53826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O3S/c1-4-5-6-7-19(25)22-8-9-23-21(26)18-14-28-20(24-18)13-27-17-11-15(2)10-16(3)12-17/h10-12,14H,4-9,13H2,1-3H3,(H,22,25)(H,23,26)