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

Systemtic Name: 2-[(4-methylphenoxy)methyl]-N-[2-(octanoylamino)ethyl]-1,3-thiazole-4-carboxamide Openeye Name: 2-[(4-methylphenoxy)methyl]-N-[2-(octanoylamino)ethyl]thiazole-4-carboxamide CAS Name: 2-[(4-methylphenoxy)methyl]-N-[2-(1-oxooctylamino)ethyl]-4-thiazolecarboxamide IUPAC Name: 2-[(4-methylphenoxy)methyl]-N-[2-(octanoylamino)ethyl]-1,3-thiazole-4-carboxamide Traditional Name: N-[2-(caprylylamino)ethyl]-2-[(4-methylphenoxy)methyl]thiazole-4-carboxamide Formula: C22H31N3O3S MolecularWeight: 417.56484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O3S/c1-3-4-5-6-7-8-20(26)23-13-14-24-22(27)19-16-29-21(25-19)15-28-18-11-9-17(2)10-12-18/h9-12,16H,3-8,13-15H2,1-2H3,(H,23,26)(H,24,27)