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

Systemtic Name: 3-[(3-methoxyphenyl)sulfanylmethyl]-N4,N5-bis(3-morpholin-4-ylpropyl)-1,2-oxazole-4,5-dicarboxamide Openeye Name: 3-[(3-methoxyphenyl)sulfanylmethyl]-N4,N5-bis(3-morpholinopropyl)isoxazole-4,5-dicarboxamide CAS Name: 3-[[(3-methoxyphenyl)thio]methyl]-N4,N5-bis[3-(4-morpholinyl)propyl]isoxazole-4,5-dicarboxamide IUPAC Name: 3-[(3-methoxyphenyl)sulfanylmethyl]-4-N,5-N-bis(3-morpholin-4-ylpropyl)-1,2-oxazole-4,5-dicarboxamide Traditional Name: 3-[[(3-methoxyphenyl)thio]methyl]-N,N'-bis(3-morpholinopropyl)isoxazole-4,5-dicarboxamide Formula: C27H39N5O6S MolecularWeight: 561.69346

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)SCC2=NOC(=C2C(=O)NCCCN3CCOCC3)C(=O)NCCCN4CCOCC4

Isomeric SMILES

COC1=CC(=CC=C1)SCC2=NOC(=C2C(=O)NCCCN3CCOCC3)C(=O)NCCCN4CCOCC4

InChI

InChI=1S/C27H39N5O6S/c1-35-21-5-2-6-22(19-21)39-20-23-24(26(33)28-7-3-9-31-11-15-36-16-12-31)25(38-30-23)27(34)29-8-4-10-32-13-17-37-18-14-32/h2,5-6,19H,3-4,7-18,20H2,1H3,(H,28,33)(H,29,34)