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

Systemtic Name: 2-[(3,5-dimethylphenoxy)methyl]-N-[2-(octanoylamino)ethyl]-1,3-thiazole-4-carboxamide Openeye Name: 2-[(3,5-dimethylphenoxy)methyl]-N-[2-(octanoylamino)ethyl]thiazole-4-carboxamide CAS Name: 2-[(3,5-dimethylphenoxy)methyl]-N-[2-(1-oxooctylamino)ethyl]-4-thiazolecarboxamide IUPAC Name: 2-[(3,5-dimethylphenoxy)methyl]-N-[2-(octanoylamino)ethyl]-1,3-thiazole-4-carboxamide Traditional Name: N-[2-(caprylylamino)ethyl]-2-[(3,5-dimethylphenoxy)methyl]thiazole-4-carboxamide Formula: C23H33N3O3S MolecularWeight: 431.59142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33N3O3S/c1-4-5-6-7-8-9-21(27)24-10-11-25-23(28)20-16-30-22(26-20)15-29-19-13-17(2)12-18(3)14-19/h12-14,16H,4-11,15H2,1-3H3,(H,24,27)(H,25,28)