5-[(2-methylbenzimidazol-1-yl)methyl]-N-(3-methylsulfanylpropyl)-1,2-oxazole-3-carboxamide

Systemtic Name: 5-[(2-methylbenzimidazol-1-yl)methyl]-N-(3-methylsulfanylpropyl)-1,2-oxazole-3-carboxamide Openeye Name: 5-[(2-methylbenzimidazol-1-yl)methyl]-N-(3-methylsulfanylpropyl)isoxazole-3-carboxamide CAS Name: 5-[(2-methyl-1-benzimidazolyl)methyl]-N-[3-(methylthio)propyl]-3-isoxazolecarboxamide IUPAC Name: 5-[(2-methylbenzimidazol-1-yl)methyl]-N-(3-methylsulfanylpropyl)-1,2-oxazole-3-carboxamide Traditional Name: 5-[(2-methylbenzimidazol-1-yl)methyl]-N-[3-(methylthio)propyl]isoxazole-3-carboxamide Formula: C17H20N4O2S MolecularWeight: 344.4313

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N1CC3=CC(=NO3)C(=O)NCCCSC

Isomeric SMILES

CC1=NC2=CC=CC=C2N1CC3=CC(=NO3)C(=O)NCCCSC

InChI

InChI=1S/C17H20N4O2S/c1-12-19-14-6-3-4-7-16(14)21(12)11-13-10-15(20-23-13)17(22)18-8-5-9-24-2/h3-4,6-7,10H,5,8-9,11H2,1-2H3,(H,18,22)