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

Systemtic Name: N4,N5-dibutyl-3-[(4-chlorophenyl)sulfanylmethyl]-1,2-oxazole-4,5-dicarboxamide Openeye Name: N4,N5-dibutyl-3-[(4-chlorophenyl)sulfanylmethyl]isoxazole-4,5-dicarboxamide CAS Name: N4,N5-dibutyl-3-[[(4-chlorophenyl)thio]methyl]isoxazole-4,5-dicarboxamide IUPAC Name: 4-N,5-N-dibutyl-3-[(4-chlorophenyl)sulfanylmethyl]-1,2-oxazole-4,5-dicarboxamide Traditional Name: N,N'-dibutyl-3-[[(4-chlorophenyl)thio]methyl]isoxazole-4,5-dicarboxamide Formula: C20H26ClN3O3S MolecularWeight: 423.95674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26ClN3O3S/c1-3-5-11-22-19(25)17-16(13-28-15-9-7-14(21)8-10-15)24-27-18(17)20(26)23-12-6-4-2/h7-10H,3-6,11-13H2,1-2H3,(H,22,25)(H,23,26)