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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC2=NC(=CS2)C(=O)NC3CCCCC3NC(=O)CC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)OCC2=NC(=CS2)C(=O)NC3CCCCC3NC(=O)CC(C)C

InChI

InChI=1S/C23H31N3O3S/c1-15(2)12-21(27)24-18-6-4-5-7-19(18)26-23(28)20-14-30-22(25-20)13-29-17-10-8-16(3)9-11-17/h8-11,14-15,18-19H,4-7,12-13H2,1-3H3,(H,24,27)(H,26,28)