N-[1-(1-adamantyl)ethylcarbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide

Systemtic Name: N-[1-(1-adamantyl)ethylcarbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide Openeye Name: N-[1-(1-adamantyl)ethylcarbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide CAS Name: N-[[1-(1-adamantyl)ethylamino]-sulfanylidenemethyl]-5-(3-nitrophenyl)-2-furancarboxamide IUPAC Name: N-[1-(1-adamantyl)ethylcarbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide Traditional Name: N-[1-(1-adamantyl)ethylthiocarbamoyl]-5-(3-nitrophenyl)-2-furamide Formula: C24H27N3O4S MolecularWeight: 453.55388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=S)NC(=O)C4=CC=C(O4)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CC(C12CC3CC(C1)CC(C3)C2)NC(=S)NC(=O)C4=CC=C(O4)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C24H27N3O4S/c1-14(24-11-15-7-16(12-24)9-17(8-15)13-24)25-23(32)26-22(28)21-6-5-20(31-21)18-3-2-4-19(10-18)27(29)30/h2-6,10,14-17H,7-9,11-13H2,1H3,(H2,25,26,28,32)