N-[1-(1-adamantyl)ethyl]-3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxamide

Systemtic Name: N-[1-(1-adamantyl)ethyl]-3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxamide Openeye Name: N-[1-(1-adamantyl)ethyl]-3-(cyclohexylsulfanylmethyl)benzofuran-2-carboxamide CAS Name: N-[1-(1-adamantyl)ethyl]-3-[(cyclohexylthio)methyl]-2-benzofurancarboxamide IUPAC Name: N-[1-(1-adamantyl)ethyl]-3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxamide Traditional Name: N-[1-(1-adamantyl)ethyl]-3-[(cyclohexylthio)methyl]coumarilamide Formula: C28H37NO2S MolecularWeight: 451.66388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=C(C5=CC=CC=C5O4)CSC6CCCCC6

Isomeric SMILES

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=C(C5=CC=CC=C5O4)CSC6CCCCC6

InChI

InChI=1S/C28H37NO2S/c1-18(28-14-19-11-20(15-28)13-21(12-19)16-28)29-27(30)26-24(17-32-22-7-3-2-4-8-22)23-9-5-6-10-25(23)31-26/h5-6,9-10,18-22H,2-4,7-8,11-17H2,1H3,(H,29,30)