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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=NC(=CS1)C(=O)N(C)CC2=CN=CC=C2

Isomeric SMILES

CC(C)CC(=O)NC1=NC(=CS1)C(=O)N(C)CC2=CN=CC=C2

InChI

InChI=1S/C16H20N4O2S/c1-11(2)7-14(21)19-16-18-13(10-23-16)15(22)20(3)9-12-5-4-6-17-8-12/h4-6,8,10-11H,7,9H2,1-3H3,(H,18,19,21)