N-(1-adamantylcarbamothioyl)-5-(4-bromophenyl)furan-2-carboxamide

Systemtic Name: N-(1-adamantylcarbamothioyl)-5-(4-bromophenyl)furan-2-carboxamide Openeye Name: N-(1-adamantylcarbamothioyl)-5-(4-bromophenyl)furan-2-carboxamide CAS Name: N-[(1-adamantylamino)-sulfanylidenemethyl]-5-(4-bromophenyl)-2-furancarboxamide IUPAC Name: N-(1-adamantylcarbamothioyl)-5-(4-bromophenyl)furan-2-carboxamide Traditional Name: N-(1-adamantylthiocarbamoyl)-5-(4-bromophenyl)-2-furamide Formula: C22H23BrN2O2S MolecularWeight: 459.39922

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=S)NC(=O)C4=CC=C(O4)C5=CC=C(C=C5)Br

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=S)NC(=O)C4=CC=C(O4)C5=CC=C(C=C5)Br

InChI

InChI=1S/C22H23BrN2O2S/c23-17-3-1-16(2-4-17)18-5-6-19(27-18)20(26)24-21(28)25-22-10-13-7-14(11-22)9-15(8-13)12-22/h1-6,13-15H,7-12H2,(H2,24,25,26,28)