N-(2-methylpropyl)-5-[[(phenylmethyl)-thiophen-2-ylcarbonyl-amino]methyl]-1,2-oxazole-3-carboxamide

Systemtic Name: N-(2-methylpropyl)-5-[[(phenylmethyl)-thiophen-2-ylcarbonyl-amino]methyl]-1,2-oxazole-3-carboxamide Openeye Name: 5-[[benzyl(thiophene-2-carbonyl)amino]methyl]-N-isobutyl-isoxazole-3-carboxamide CAS Name: N-(2-methylpropyl)-5-[[[oxo(thiophen-2-yl)methyl]-(phenylmethyl)amino]methyl]-3-isoxazolecarboxamide IUPAC Name: 5-[[benzyl(thiophene-2-carbonyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide Traditional Name: 5-[[benzyl(2-thenoyl)amino]methyl]-N-isobutyl-isoxazole-3-carboxamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=NOC(=C1)CN(CC2=CC=CC=C2)C(=O)C3=CC=CS3

Isomeric SMILES

CC(C)CNC(=O)C1=NOC(=C1)CN(CC2=CC=CC=C2)C(=O)C3=CC=CS3

InChI

InChI=1S/C21H23N3O3S/c1-15(2)12-22-20(25)18-11-17(27-23-18)14-24(13-16-7-4-3-5-8-16)21(26)19-9-6-10-28-19/h3-11,15H,12-14H2,1-2H3,(H,22,25)