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

Systemtic Name: N4,N5-dibutyl-3-[(3,5-dimethylphenyl)sulfanylmethyl]-1,2-oxazole-4,5-dicarboxamide Openeye Name: N4,N5-dibutyl-3-[(3,5-dimethylphenyl)sulfanylmethyl]isoxazole-4,5-dicarboxamide CAS Name: N4,N5-dibutyl-3-[[(3,5-dimethylphenyl)thio]methyl]isoxazole-4,5-dicarboxamide IUPAC Name: 4-N,5-N-dibutyl-3-[(3,5-dimethylphenyl)sulfanylmethyl]-1,2-oxazole-4,5-dicarboxamide Traditional Name: N,N'-dibutyl-3-[[(3,5-dimethylphenyl)thio]methyl]isoxazole-4,5-dicarboxamide Formula: C22H31N3O3S MolecularWeight: 417.56484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O3S/c1-5-7-9-23-21(26)19-18(14-29-17-12-15(3)11-16(4)13-17)25-28-20(19)22(27)24-10-8-6-2/h11-13H,5-10,14H2,1-4H3,(H,23,26)(H,24,27)