N-methyl-2-(3-methylbutanoylamino)-N-(2-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide

Systemtic Name: N-methyl-2-(3-methylbutanoylamino)-N-(2-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide Openeye Name: N-methyl-2-(3-methylbutanoylamino)-N-[2-(2-pyridyl)ethyl]thiazole-4-carboxamide CAS Name: N-methyl-2-[(3-methyl-1-oxobutyl)amino]-N-[2-(2-pyridinyl)ethyl]-4-thiazolecarboxamide IUPAC Name: N-methyl-2-(3-methylbutanoylamino)-N-(2-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide Traditional Name: 2-(isovalerylamino)-N-methyl-N-[2-(2-pyridyl)ethyl]thiazole-4-carboxamide Formula: C17H22N4O2S MolecularWeight: 346.44718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=NC(=CS1)C(=O)N(C)CCC2=CC=CC=N2

Isomeric SMILES

CC(C)CC(=O)NC1=NC(=CS1)C(=O)N(C)CCC2=CC=CC=N2

InChI

InChI=1S/C17H22N4O2S/c1-12(2)10-15(22)20-17-19-14(11-24-17)16(23)21(3)9-7-13-6-4-5-8-18-13/h4-6,8,11-12H,7,9-10H2,1-3H3,(H,19,20,22)