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

Systemtic Name: N-[(3-chlorophenyl)methyl]-5-[[(4-methylphenyl)carbonyl-(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carboxamide Openeye Name: N-[(3-chlorophenyl)methyl]-5-[[(4-methylbenzoyl)-(2-thienylmethyl)amino]methyl]isoxazole-3-carboxamide CAS Name: N-[(3-chlorophenyl)methyl]-5-[[[(4-methylphenyl)-oxomethyl]-(thiophen-2-ylmethyl)amino]methyl]-3-isoxazolecarboxamide IUPAC Name: N-[(3-chlorophenyl)methyl]-5-[[(4-methylbenzoyl)-(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carboxamide Traditional Name: N-(3-chlorobenzyl)-5-[[p-toluoyl(2-thenyl)amino]methyl]isoxazole-3-carboxamide Formula: C25H22ClN3O3S MolecularWeight: 479.97848

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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)NCC4=CC(=CC=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N(CC2=CC=CS2)CC3=CC(=NO3)C(=O)NCC4=CC(=CC=C4)Cl

InChI

InChI=1S/C25H22ClN3O3S/c1-17-7-9-19(10-8-17)25(31)29(16-22-6-3-11-33-22)15-21-13-23(28-32-21)24(30)27-14-18-4-2-5-20(26)12-18/h2-13H,14-16H2,1H3,(H,27,30)