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

Systemtic Name: N-(2-adamantylcarbamothioyl)-5-(3-nitrophenyl)furan-2-carboxamide Openeye Name: N-(2-adamantylcarbamothioyl)-5-(3-nitrophenyl)furan-2-carboxamide CAS Name: N-[(2-adamantylamino)-sulfanylidenemethyl]-5-(3-nitrophenyl)-2-furancarboxamide IUPAC Name: N-(2-adamantylcarbamothioyl)-5-(3-nitrophenyl)furan-2-carboxamide Traditional Name: N-(2-adamantylthiocarbamoyl)-5-(3-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(19-5-4-18(29-19)14-2-1-3-17(11-14)25(27)28)24-22(30)23-20-15-7-12-6-13(9-15)10-16(20)8-12/h1-5,11-13,15-16,20H,6-10H2,(H2,23,24,26,30)