N-[2-(3-methylbutanoylamino)cyclohexyl]-2-(phenoxymethyl)-1,3-thiazole-4-carboxamide

Systemtic Name: N-[2-(3-methylbutanoylamino)cyclohexyl]-2-(phenoxymethyl)-1,3-thiazole-4-carboxamide Openeye Name: N-[2-(3-methylbutanoylamino)cyclohexyl]-2-(phenoxymethyl)thiazole-4-carboxamide CAS Name: N-[2-[(3-methyl-1-oxobutyl)amino]cyclohexyl]-2-(phenoxymethyl)-4-thiazolecarboxamide IUPAC Name: N-[2-(3-methylbutanoylamino)cyclohexyl]-2-(phenoxymethyl)-1,3-thiazole-4-carboxamide Traditional Name: N-[2-(isovalerylamino)cyclohexyl]-2-(phenoxymethyl)thiazole-4-carboxamide Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1CCCCC1NC(=O)C2=CSC(=N2)COC3=CC=CC=C3

Isomeric SMILES

CC(C)CC(=O)NC1CCCCC1NC(=O)C2=CSC(=N2)COC3=CC=CC=C3

InChI

InChI=1S/C22H29N3O3S/c1-15(2)12-20(26)23-17-10-6-7-11-18(17)25-22(27)19-14-29-21(24-19)13-28-16-8-4-3-5-9-16/h3-5,8-9,14-15,17-18H,6-7,10-13H2,1-2H3,(H,23,26)(H,25,27)