N4,N5-bis(3-methylbutyl)-3-(pyridin-4-ylsulfanylmethyl)-1,2-oxazole-4,5-dicarboxamide

Systemtic Name: N4,N5-bis(3-methylbutyl)-3-(pyridin-4-ylsulfanylmethyl)-1,2-oxazole-4,5-dicarboxamide Openeye Name: N4,N5-diisopentyl-3-(4-pyridylsulfanylmethyl)isoxazole-4,5-dicarboxamide CAS Name: N4,N5-bis(3-methylbutyl)-3-[(pyridin-4-ylthio)methyl]isoxazole-4,5-dicarboxamide IUPAC Name: 4-N,5-N-bis(3-methylbutyl)-3-(pyridin-4-ylsulfanylmethyl)-1,2-oxazole-4,5-dicarboxamide Traditional Name: N,N'-diisoamyl-3-[(4-pyridylthio)methyl]isoxazole-4,5-dicarboxamide Formula: C21H30N4O3S MolecularWeight: 418.5529

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1=C(ON=C1CSC2=CC=NC=C2)C(=O)NCCC(C)C

Isomeric SMILES

CC(C)CCNC(=O)C1=C(ON=C1CSC2=CC=NC=C2)C(=O)NCCC(C)C

InChI

InChI=1S/C21H30N4O3S/c1-14(2)5-11-23-20(26)18-17(13-29-16-7-9-22-10-8-16)25-28-19(18)21(27)24-12-6-15(3)4/h7-10,14-15H,5-6,11-13H2,1-4H3,(H,23,26)(H,24,27)