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

Systemtic Name: N-[2-(3,3-dimethylbutanoylamino)cyclohexyl]-2-(phenoxymethyl)-1,3-thiazole-4-carboxamide Openeye Name: N-[2-(3,3-dimethylbutanoylamino)cyclohexyl]-2-(phenoxymethyl)thiazole-4-carboxamide CAS Name: N-[2-[(3,3-dimethyl-1-oxobutyl)amino]cyclohexyl]-2-(phenoxymethyl)-4-thiazolecarboxamide IUPAC Name: N-[2-(3,3-dimethylbutanoylamino)cyclohexyl]-2-(phenoxymethyl)-1,3-thiazole-4-carboxamide Traditional Name: N-[2-(3,3-dimethylbutanoylamino)cyclohexyl]-2-(phenoxymethyl)thiazole-4-carboxamide Formula: C23H31N3O3S MolecularWeight: 429.57554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O3S/c1-23(2,3)13-20(27)24-17-11-7-8-12-18(17)26-22(28)19-15-30-21(25-19)14-29-16-9-5-4-6-10-16/h4-6,9-10,15,17-18H,7-8,11-14H2,1-3H3,(H,24,27)(H,26,28)