2-[1-(1-adamantyl)benzimidazol-2-yl]sulfanyl-N-(1-oxidanylidene-3H-2-benzofuran-5-yl)ethanamide

Systemtic Name: 2-[1-(1-adamantyl)benzimidazol-2-yl]sulfanyl-N-(1-oxidanylidene-3H-2-benzofuran-5-yl)ethanamide Openeye Name: 2-[1-(1-adamantyl)benzimidazol-2-yl]sulfanyl-N-(1-oxo-3H-isobenzofuran-5-yl)acetamide CAS Name: 2-[[1-(1-adamantyl)-2-benzimidazolyl]thio]-N-(1-oxo-3H-isobenzofuran-5-yl)acetamide IUPAC Name: 2-[1-(1-adamantyl)benzimidazol-2-yl]sulfanyl-N-(1-oxo-3H-2-benzofuran-5-yl)acetamide Traditional Name: 2-[[1-(1-adamantyl)benzimidazol-2-yl]thio]-N-(1-ketophthalan-5-yl)acetamide Formula: C27H27N3O3S MolecularWeight: 473.58658

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N4C5=CC=CC=C5N=C4SCC(=O)NC6=CC7=C(C=C6)C(=O)OC7

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N4C5=CC=CC=C5N=C4SCC(=O)NC6=CC7=C(C=C6)C(=O)OC7

InChI

InChI=1S/C27H27N3O3S/c31-24(28-20-5-6-21-19(10-20)14-33-25(21)32)15-34-26-29-22-3-1-2-4-23(22)30(26)27-11-16-7-17(12-27)9-18(8-16)13-27/h1-6,10,16-18H,7-9,11-15H2,(H,28,31)