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

Systemtic Name: 2-[(2-methoxyphenoxy)methyl]-N-[2-(octanoylamino)ethyl]-1,3-thiazole-4-carboxamide Openeye Name: 2-[(2-methoxyphenoxy)methyl]-N-[2-(octanoylamino)ethyl]thiazole-4-carboxamide CAS Name: 2-[(2-methoxyphenoxy)methyl]-N-[2-(1-oxooctylamino)ethyl]-4-thiazolecarboxamide IUPAC Name: 2-[(2-methoxyphenoxy)methyl]-N-[2-(octanoylamino)ethyl]-1,3-thiazole-4-carboxamide Traditional Name: N-[2-(caprylylamino)ethyl]-2-[(2-methoxyphenoxy)methyl]thiazole-4-carboxamide Formula: C22H31N3O4S MolecularWeight: 433.56424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NCCNC(=O)C1=CSC(=N1)COC2=CC=CC=C2OC

Isomeric SMILES

CCCCCCCC(=O)NCCNC(=O)C1=CSC(=N1)COC2=CC=CC=C2OC

InChI

InChI=1S/C22H31N3O4S/c1-3-4-5-6-7-12-20(26)23-13-14-24-22(27)17-16-30-21(25-17)15-29-19-11-9-8-10-18(19)28-2/h8-11,16H,3-7,12-15H2,1-2H3,(H,23,26)(H,24,27)