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

Systemtic Name: 3-(1H-benzimidazol-2-ylsulfanylmethyl)-N4,N5-bis(cyclopropylmethyl)-1,2-oxazole-4,5-dicarboxamide Openeye Name: 3-(1H-benzimidazol-2-ylsulfanylmethyl)-N4,N5-bis(cyclopropylmethyl)isoxazole-4,5-dicarboxamide CAS Name: 3-[(1H-benzimidazol-2-ylthio)methyl]-N4,N5-bis(cyclopropylmethyl)isoxazole-4,5-dicarboxamide IUPAC Name: 3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-N,5-N-bis(cyclopropylmethyl)-1,2-oxazole-4,5-dicarboxamide Traditional Name: 3-[(1H-benzimidazol-2-ylthio)methyl]-N,N'-bis(cyclopropylmethyl)isoxazole-4,5-dicarboxamide Formula: C21H23N5O3S MolecularWeight: 425.50402

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CNC(=O)C2=C(ON=C2CSC3=NC4=CC=CC=C4N3)C(=O)NCC5CC5

Isomeric SMILES

C1CC1CNC(=O)C2=C(ON=C2CSC3=NC4=CC=CC=C4N3)C(=O)NCC5CC5

InChI

InChI=1S/C21H23N5O3S/c27-19(22-9-12-5-6-12)17-16(26-29-18(17)20(28)23-10-13-7-8-13)11-30-21-24-14-3-1-2-4-15(14)25-21/h1-4,12-13H,5-11H2,(H,22,27)(H,23,28)(H,24,25)