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

Systemtic Name: N-[(4-methylphenyl)methyl]-5-[[3-phenylpropanoyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carboxamide Openeye Name: 5-[[3-phenylpropanoyl(2-thienylmethyl)amino]methyl]-N-(p-tolylmethyl)isoxazole-3-carboxamide CAS Name: N-[(4-methylphenyl)methyl]-5-[[(1-oxo-3-phenylpropyl)-(thiophen-2-ylmethyl)amino]methyl]-3-isoxazolecarboxamide IUPAC Name: N-[(4-methylphenyl)methyl]-5-[[3-phenylpropanoyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-[[hydrocinnamoyl(2-thenyl)amino]methyl]-N-(4-methylbenzyl)isoxazole-3-carboxamide Formula: C27H27N3O3S MolecularWeight: 473.58658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2=NOC(=C2)CN(CC3=CC=CS3)C(=O)CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2=NOC(=C2)CN(CC3=CC=CS3)C(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C27H27N3O3S/c1-20-9-11-22(12-10-20)17-28-27(32)25-16-23(33-29-25)18-30(19-24-8-5-15-34-24)26(31)14-13-21-6-3-2-4-7-21/h2-12,15-16H,13-14,17-19H2,1H3,(H,28,32)