3-[(3-methoxyphenyl)sulfanylmethyl]-N4,N5-bis(phenylmethyl)-1,2-oxazole-4,5-dicarboxamide

Systemtic Name: 3-[(3-methoxyphenyl)sulfanylmethyl]-N4,N5-bis(phenylmethyl)-1,2-oxazole-4,5-dicarboxamide Openeye Name: N4,N5-dibenzyl-3-[(3-methoxyphenyl)sulfanylmethyl]isoxazole-4,5-dicarboxamide CAS Name: 3-[[(3-methoxyphenyl)thio]methyl]-N4,N5-bis(phenylmethyl)isoxazole-4,5-dicarboxamide IUPAC Name: 4-N,5-N-dibenzyl-3-[(3-methoxyphenyl)sulfanylmethyl]-1,2-oxazole-4,5-dicarboxamide Traditional Name: N,N'-dibenzyl-3-[[(3-methoxyphenyl)thio]methyl]isoxazole-4,5-dicarboxamide Formula: C27H25N3O4S MolecularWeight: 487.5701

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)SCC2=NOC(=C2C(=O)NCC3=CC=CC=C3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

COC1=CC(=CC=C1)SCC2=NOC(=C2C(=O)NCC3=CC=CC=C3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C27H25N3O4S/c1-33-21-13-8-14-22(15-21)35-18-23-24(26(31)28-16-19-9-4-2-5-10-19)25(34-30-23)27(32)29-17-20-11-6-3-7-12-20/h2-15H,16-18H2,1H3,(H,28,31)(H,29,32)