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

Systemtic Name: N-(1-benzamidocyclohexyl)-2-(4-methylpentanoyl)-5-propan-2-ylsulfanyl-1,3,4-oxadiazol-3-ium-3-carboxamide Openeye Name: N-(1-benzamidocyclohexyl)-5-isopropylsulfanyl-2-(4-methylpentanoyl)-1,3,4-oxadiazol-3-ium-3-carboxamide CAS Name: N-(1-benzamidocyclohexyl)-2-(4-methyl-1-oxopentyl)-5-(propan-2-ylthio)-1,3,4-oxadiazol-3-ium-3-carboxamide IUPAC Name: N-(1-benzamidocyclohexyl)-2-(4-methylpentanoyl)-5-propan-2-ylsulfanyl-1,3,4-oxadiazol-3-ium-3-carboxamide Traditional Name: N-(1-benzamidocyclohexyl)-5-(isopropylthio)-2-(4-methylpentanoyl)-1,3,4-oxadiazol-3-ium-3-carboxamide Formula: C25H35N4O4S+ MolecularWeight: 487.6348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34N4O4S/c1-17(2)13-14-20(30)22-29(28-24(33-22)34-18(3)4)23(32)27-25(15-9-6-10-16-25)26-21(31)19-11-7-5-8-12-19/h5,7-8,11-12,17-18H,6,9-10,13-16H2,1-4H3,(H-,26,27,31,32)/p+1