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

Systemtic Name: 3-(1H-benzimidazol-2-ylsulfanylmethyl)-N4,N5-bis(phenylmethyl)-1,2-oxazole-4,5-dicarboxamide Openeye Name: 3-(1H-benzimidazol-2-ylsulfanylmethyl)-N4,N5-dibenzyl-isoxazole-4,5-dicarboxamide CAS Name: 3-[(1H-benzimidazol-2-ylthio)methyl]-N4,N5-bis(phenylmethyl)isoxazole-4,5-dicarboxamide IUPAC Name: 3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-N,5-N-dibenzyl-1,2-oxazole-4,5-dicarboxamide Traditional Name: 3-[(1H-benzimidazol-2-ylthio)methyl]-N,N'-dibenzyl-isoxazole-4,5-dicarboxamide Formula: C27H23N5O3S MolecularWeight: 497.56822

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C2=C(ON=C2CSC3=NC4=CC=CC=C4N3)C(=O)NCC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C2=C(ON=C2CSC3=NC4=CC=CC=C4N3)C(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C27H23N5O3S/c33-25(28-15-18-9-3-1-4-10-18)23-22(17-36-27-30-20-13-7-8-14-21(20)31-27)32-35-24(23)26(34)29-16-19-11-5-2-6-12-19/h1-14H,15-17H2,(H,28,33)(H,29,34)(H,30,31)