N-(1-adamantylcarbamothioyl)-5-(3-nitrophenyl)furan-2-carboxamide

Systemtic Name: N-(1-adamantylcarbamothioyl)-5-(3-nitrophenyl)furan-2-carboxamide Openeye Name: N-(1-adamantylcarbamothioyl)-5-(3-nitrophenyl)furan-2-carboxamide CAS Name: N-[(1-adamantylamino)-sulfanylidenemethyl]-5-(3-nitrophenyl)-2-furancarboxamide IUPAC Name: N-(1-adamantylcarbamothioyl)-5-(3-nitrophenyl)furan-2-carboxamide Traditional Name: N-(1-adamantylthiocarbamoyl)-5-(3-nitrophenyl)-2-furamide Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=S)NC(=O)C4=CC=C(O4)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=S)NC(=O)C4=CC=C(O4)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

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