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

Systemtic Name: 2-(3-methylbutanoylamino)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide Openeye Name: 2-(3-methylbutanoylamino)-N-(4-pyridylmethyl)thiazole-4-carboxamide CAS Name: 2-[(3-methyl-1-oxobutyl)amino]-N-(pyridin-4-ylmethyl)-4-thiazolecarboxamide IUPAC Name: 2-(3-methylbutanoylamino)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide Traditional Name: 2-(isovalerylamino)-N-(4-pyridylmethyl)thiazole-4-carboxamide Formula: C15H18N4O2S MolecularWeight: 318.39402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=NC(=CS1)C(=O)NCC2=CC=NC=C2

Isomeric SMILES

CC(C)CC(=O)NC1=NC(=CS1)C(=O)NCC2=CC=NC=C2

InChI

InChI=1S/C15H18N4O2S/c1-10(2)7-13(20)19-15-18-12(9-22-15)14(21)17-8-11-3-5-16-6-4-11/h3-6,9-10H,7-8H2,1-2H3,(H,17,21)(H,18,19,20)