2-[(5-methyl-2-propan-2-yl-phenoxy)methyl]-N-[2-(pentanoylamino)ethyl]-1,3-thiazole-4-carboxamide

Systemtic Name: 2-[(5-methyl-2-propan-2-yl-phenoxy)methyl]-N-[2-(pentanoylamino)ethyl]-1,3-thiazole-4-carboxamide Openeye Name: 2-[(2-isopropyl-5-methyl-phenoxy)methyl]-N-[2-(pentanoylamino)ethyl]thiazole-4-carboxamide CAS Name: 2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-N-[2-(1-oxopentylamino)ethyl]-4-thiazolecarboxamide IUPAC Name: 2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-N-[2-(pentanoylamino)ethyl]-1,3-thiazole-4-carboxamide Traditional Name: 2-[(2-isopropyl-5-methyl-phenoxy)methyl]-N-[2-(valerylamino)ethyl]thiazole-4-carboxamide Formula: C22H31N3O3S MolecularWeight: 417.56484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O3S/c1-5-6-7-20(26)23-10-11-24-22(27)18-14-29-21(25-18)13-28-19-12-16(4)8-9-17(19)15(2)3/h8-9,12,14-15H,5-7,10-11,13H2,1-4H3,(H,23,26)(H,24,27)