N-(1-adamantylcarbamothioyl)-1-benzofuran-2-carboxamide

Systemtic Name: N-(1-adamantylcarbamothioyl)-1-benzofuran-2-carboxamide Openeye Name: N-(1-adamantylcarbamothioyl)benzofuran-2-carboxamide CAS Name: N-[(1-adamantylamino)-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: N-(1-adamantylcarbamothioyl)-1-benzofuran-2-carboxamide Traditional Name: N-(1-adamantylthiocarbamoyl)coumarilamide Formula: C20H22N2O2S MolecularWeight: 354.46588

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=S)NC(=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=S)NC(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C20H22N2O2S/c23-18(17-8-15-3-1-2-4-16(15)24-17)21-19(25)22-20-9-12-5-13(10-20)7-14(6-12)11-20/h1-4,8,12-14H,5-7,9-11H2,(H2,21,22,23,25)