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

Systemtic Name: 3-(1H-benzimidazol-2-ylsulfanylmethyl)-N4,N5-bis(3-methylbutyl)-1,2-oxazole-4,5-dicarboxamide Openeye Name: 3-(1H-benzimidazol-2-ylsulfanylmethyl)-N4,N5-diisopentyl-isoxazole-4,5-dicarboxamide CAS Name: 3-[(1H-benzimidazol-2-ylthio)methyl]-N4,N5-bis(3-methylbutyl)isoxazole-4,5-dicarboxamide IUPAC Name: 3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-N,5-N-bis(3-methylbutyl)-1,2-oxazole-4,5-dicarboxamide Traditional Name: 3-[(1H-benzimidazol-2-ylthio)methyl]-N,N'-diisoamyl-isoxazole-4,5-dicarboxamide Formula: C23H31N5O3S MolecularWeight: 457.58894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1=C(ON=C1CSC2=NC3=CC=CC=C3N2)C(=O)NCCC(C)C

Isomeric SMILES

CC(C)CCNC(=O)C1=C(ON=C1CSC2=NC3=CC=CC=C3N2)C(=O)NCCC(C)C

InChI

InChI=1S/C23H31N5O3S/c1-14(2)9-11-24-21(29)19-18(28-31-20(19)22(30)25-12-10-15(3)4)13-32-23-26-16-7-5-6-8-17(16)27-23/h5-8,14-15H,9-13H2,1-4H3,(H,24,29)(H,25,30)(H,26,27)