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

Systemtic Name: N-[2-(hexanoylamino)ethyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide Openeye Name: N-[2-(hexanoylamino)ethyl]-2-[(4-methylphenoxy)methyl]thiazole-4-carboxamide CAS Name: 2-[(4-methylphenoxy)methyl]-N-[2-(1-oxohexylamino)ethyl]-4-thiazolecarboxamide IUPAC Name: N-[2-(hexanoylamino)ethyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide Traditional Name: N-[2-(caproylamino)ethyl]-2-[(4-methylphenoxy)methyl]thiazole-4-carboxamide Formula: C20H27N3O3S MolecularWeight: 389.51168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O3S/c1-3-4-5-6-18(24)21-11-12-22-20(25)17-14-27-19(23-17)13-26-16-9-7-15(2)8-10-16/h7-10,14H,3-6,11-13H2,1-2H3,(H,21,24)(H,22,25)