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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=S)NC(=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=S)NC(=O)C4=CC5=CC=CC=C5O4

InChI

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