2-(3-methylbutanoylamino)-N-[1-(phenylmethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide

Systemtic Name: 2-(3-methylbutanoylamino)-N-[1-(phenylmethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide Openeye Name: N-(1-benzyl-4-piperidyl)-2-(3-methylbutanoylamino)thiazole-4-carboxamide CAS Name: 2-[(3-methyl-1-oxobutyl)amino]-N-[1-(phenylmethyl)-4-piperidinyl]-4-thiazolecarboxamide IUPAC Name: N-(1-benzylpiperidin-4-yl)-2-(3-methylbutanoylamino)-1,3-thiazole-4-carboxamide Traditional Name: N-(1-benzyl-4-piperidyl)-2-(isovalerylamino)thiazole-4-carboxamide Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=NC(=CS1)C(=O)NC2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)CC(=O)NC1=NC(=CS1)C(=O)NC2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H28N4O2S/c1-15(2)12-19(26)24-21-23-18(14-28-21)20(27)22-17-8-10-25(11-9-17)13-16-6-4-3-5-7-16/h3-7,14-15,17H,8-13H2,1-2H3,(H,22,27)(H,23,24,26)