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

Systemtic Name: 3-(1H-benzimidazol-2-ylsulfanylmethyl)-N4,N5-dibutyl-1,2-oxazole-4,5-dicarboxamide Openeye Name: 3-(1H-benzimidazol-2-ylsulfanylmethyl)-N4,N5-dibutyl-isoxazole-4,5-dicarboxamide CAS Name: 3-[(1H-benzimidazol-2-ylthio)methyl]-N4,N5-dibutylisoxazole-4,5-dicarboxamide IUPAC Name: 3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-N,5-N-dibutyl-1,2-oxazole-4,5-dicarboxamide Traditional Name: 3-[(1H-benzimidazol-2-ylthio)methyl]-N,N'-dibutyl-isoxazole-4,5-dicarboxamide Formula: C21H27N5O3S MolecularWeight: 429.53578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=C(ON=C1CSC2=NC3=CC=CC=C3N2)C(=O)NCCCC

Isomeric SMILES

CCCCNC(=O)C1=C(ON=C1CSC2=NC3=CC=CC=C3N2)C(=O)NCCCC

InChI

InChI=1S/C21H27N5O3S/c1-3-5-11-22-19(27)17-16(26-29-18(17)20(28)23-12-6-4-2)13-30-21-24-14-9-7-8-10-15(14)25-21/h7-10H,3-6,11-13H2,1-2H3,(H,22,27)(H,23,28)(H,24,25)