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

Systemtic Name: N4-butyl-3-[(4-chlorophenyl)sulfanylmethyl]-N5-(phenylmethyl)-1,2-oxazole-4,5-dicarboxamide Openeye Name: N5-benzyl-N4-butyl-3-[(4-chlorophenyl)sulfanylmethyl]isoxazole-4,5-dicarboxamide CAS Name: N4-butyl-3-[[(4-chlorophenyl)thio]methyl]-N5-(phenylmethyl)isoxazole-4,5-dicarboxamide IUPAC Name: 5-N-benzyl-4-N-butyl-3-[(4-chlorophenyl)sulfanylmethyl]-1,2-oxazole-4,5-dicarboxamide Traditional Name: N'-benzyl-N-butyl-3-[[(4-chlorophenyl)thio]methyl]isoxazole-4,5-dicarboxamide Formula: C23H24ClN3O3S MolecularWeight: 457.97296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=C(ON=C1CSC2=CC=C(C=C2)Cl)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CCCCNC(=O)C1=C(ON=C1CSC2=CC=C(C=C2)Cl)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C23H24ClN3O3S/c1-2-3-13-25-22(28)20-19(15-31-18-11-9-17(24)10-12-18)27-30-21(20)23(29)26-14-16-7-5-4-6-8-16/h4-12H,2-3,13-15H2,1H3,(H,25,28)(H,26,29)