5-[[(4-methylphenyl)carbonyl-(thiophen-2-ylmethyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide

Systemtic Name: 5-[[(4-methylphenyl)carbonyl-(thiophen-2-ylmethyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide Openeye Name: N-isobutyl-5-[[(4-methylbenzoyl)-(2-thienylmethyl)amino]methyl]isoxazole-3-carboxamide CAS Name: 5-[[[(4-methylphenyl)-oxomethyl]-(thiophen-2-ylmethyl)amino]methyl]-N-(2-methylpropyl)-3-isoxazolecarboxamide IUPAC Name: 5-[[(4-methylbenzoyl)-(thiophen-2-ylmethyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide Traditional Name: N-isobutyl-5-[[p-toluoyl(2-thenyl)amino]methyl]isoxazole-3-carboxamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N(CC2=CC=CS2)CC3=CC(=NO3)C(=O)NCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N(CC2=CC=CS2)CC3=CC(=NO3)C(=O)NCC(C)C

InChI

InChI=1S/C22H25N3O3S/c1-15(2)12-23-21(26)20-11-18(28-24-20)13-25(14-19-5-4-10-29-19)22(27)17-8-6-16(3)7-9-17/h4-11,15H,12-14H2,1-3H3,(H,23,26)