N-(2-adamantylcarbamothioyl)-5-(2-nitrophenyl)furan-2-carboxamide

Systemtic Name: N-(2-adamantylcarbamothioyl)-5-(2-nitrophenyl)furan-2-carboxamide Openeye Name: N-(2-adamantylcarbamothioyl)-5-(2-nitrophenyl)furan-2-carboxamide CAS Name: N-[(2-adamantylamino)-sulfanylidenemethyl]-5-(2-nitrophenyl)-2-furancarboxamide IUPAC Name: N-(2-adamantylcarbamothioyl)-5-(2-nitrophenyl)furan-2-carboxamide Traditional Name: N-(2-adamantylthiocarbamoyl)-5-(2-nitrophenyl)-2-furamide Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=S)NC(=O)C4=CC=C(O4)C5=CC=CC=C5[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=S)NC(=O)C4=CC=C(O4)C5=CC=CC=C5[N+](=O)[O-]

InChI

InChI=1S/C22H23N3O4S/c26-21(19-6-5-18(29-19)16-3-1-2-4-17(16)25(27)28)24-22(30)23-20-14-8-12-7-13(10-14)11-15(20)9-12/h1-6,12-15,20H,7-11H2,(H2,23,24,26,30)