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

Systemtic Name: 2-[(3,5-dimethylphenoxy)methyl]-N-[2-(heptanoylamino)ethyl]-1,3-thiazole-4-carboxamide Openeye Name: 2-[(3,5-dimethylphenoxy)methyl]-N-[2-(heptanoylamino)ethyl]thiazole-4-carboxamide CAS Name: 2-[(3,5-dimethylphenoxy)methyl]-N-[2-(1-oxoheptylamino)ethyl]-4-thiazolecarboxamide IUPAC Name: 2-[(3,5-dimethylphenoxy)methyl]-N-[2-(heptanoylamino)ethyl]-1,3-thiazole-4-carboxamide Traditional Name: 2-[(3,5-dimethylphenoxy)methyl]-N-[2-(enanthylamino)ethyl]thiazole-4-carboxamide Formula: C22H31N3O3S MolecularWeight: 417.56484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O3S/c1-4-5-6-7-8-20(26)23-9-10-24-22(27)19-15-29-21(25-19)14-28-18-12-16(2)11-17(3)13-18/h11-13,15H,4-10,14H2,1-3H3,(H,23,26)(H,24,27)