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

Systemtic Name: 2-(3-methylbutanoylamino)-N-(2-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide Openeye Name: 2-(3-methylbutanoylamino)-N-[2-(3-pyridyl)ethyl]thiazole-4-carboxamide CAS Name: 2-[(3-methyl-1-oxobutyl)amino]-N-[2-(3-pyridinyl)ethyl]-4-thiazolecarboxamide IUPAC Name: 2-(3-methylbutanoylamino)-N-(2-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide Traditional Name: 2-(isovalerylamino)-N-[2-(3-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=CN=CC=C2

Isomeric SMILES

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

InChI

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