N-(1-benzamidocyclohexyl)-2-(4-methylpentanoyl)-5-methylsulfanyl-1,3,4-oxadiazol-3-ium-3-carboxamide

Systemtic Name: N-(1-benzamidocyclohexyl)-2-(4-methylpentanoyl)-5-methylsulfanyl-1,3,4-oxadiazol-3-ium-3-carboxamide Openeye Name: N-(1-benzamidocyclohexyl)-2-(4-methylpentanoyl)-5-methylsulfanyl-1,3,4-oxadiazol-3-ium-3-carboxamide CAS Name: N-(1-benzamidocyclohexyl)-2-(4-methyl-1-oxopentyl)-5-(methylthio)-1,3,4-oxadiazol-3-ium-3-carboxamide IUPAC Name: N-(1-benzamidocyclohexyl)-2-(4-methylpentanoyl)-5-methylsulfanyl-1,3,4-oxadiazol-3-ium-3-carboxamide Traditional Name: N-(1-benzamidocyclohexyl)-2-(4-methylpentanoyl)-5-(methylthio)-1,3,4-oxadiazol-3-ium-3-carboxamide Formula: C23H31N4O4S+ MolecularWeight: 459.58164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)C1=[N+](N=C(O1)SC)C(=O)NC2(CCCCC2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)CCC(=O)C1=[N+](N=C(O1)SC)C(=O)NC2(CCCCC2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H30N4O4S/c1-16(2)12-13-18(28)20-27(26-22(31-20)32-3)21(30)25-23(14-8-5-9-15-23)24-19(29)17-10-6-4-7-11-17/h4,6-7,10-11,16H,5,8-9,12-15H2,1-3H3,(H-,24,25,29,30)/p+1