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

Systemtic Name: 2-(3-methylbutanoylamino)-N-(2-pyridin-4-ylethyl)-1,3-thiazole-4-carboxamide Openeye Name: 2-(3-methylbutanoylamino)-N-[2-(4-pyridyl)ethyl]thiazole-4-carboxamide CAS Name: 2-[(3-methyl-1-oxobutyl)amino]-N-(2-pyridin-4-ylethyl)-4-thiazolecarboxamide IUPAC Name: 2-(3-methylbutanoylamino)-N-(2-pyridin-4-ylethyl)-1,3-thiazole-4-carboxamide Traditional Name: 2-(isovalerylamino)-N-[2-(4-pyridyl)ethyl]thiazole-4-carboxamide Formula: C16H20N4O2S MolecularWeight: 332.4206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=NC(=CS1)C(=O)NCCC2=CC=NC=C2

Isomeric SMILES

CC(C)CC(=O)NC1=NC(=CS1)C(=O)NCCC2=CC=NC=C2

InChI

InChI=1S/C16H20N4O2S/c1-11(2)9-14(21)20-16-19-13(10-23-16)15(22)18-8-5-12-3-6-17-7-4-12/h3-4,6-7,10-11H,5,8-9H2,1-2H3,(H,18,22)(H,19,20,21)