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

Systemtic Name: 3-(1H-benzimidazol-2-ylsulfanylmethyl)-N4,N5-bis(3-morpholin-4-ylpropyl)-1,2-oxazole-4,5-dicarboxamide Openeye Name: 3-(1H-benzimidazol-2-ylsulfanylmethyl)-N4,N5-bis(3-morpholinopropyl)isoxazole-4,5-dicarboxamide CAS Name: 3-[(1H-benzimidazol-2-ylthio)methyl]-N4,N5-bis[3-(4-morpholinyl)propyl]isoxazole-4,5-dicarboxamide IUPAC Name: 3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-N,5-N-bis(3-morpholin-4-ylpropyl)-1,2-oxazole-4,5-dicarboxamide Traditional Name: 3-[(1H-benzimidazol-2-ylthio)methyl]-N,N'-bis(3-morpholinopropyl)isoxazole-4,5-dicarboxamide Formula: C27H37N7O5S MolecularWeight: 571.69158

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCNC(=O)C2=C(ON=C2CSC3=NC4=CC=CC=C4N3)C(=O)NCCCN5CCOCC5

Isomeric SMILES

C1COCCN1CCCNC(=O)C2=C(ON=C2CSC3=NC4=CC=CC=C4N3)C(=O)NCCCN5CCOCC5

InChI

InChI=1S/C27H37N7O5S/c35-25(28-7-3-9-33-11-15-37-16-12-33)23-22(19-40-27-30-20-5-1-2-6-21(20)31-27)32-39-24(23)26(36)29-8-4-10-34-13-17-38-18-14-34/h1-2,5-6H,3-4,7-19H2,(H,28,35)(H,29,36)(H,30,31)