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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=S)NC(=O)C4=CC=C(O4)C5=CC=C(C=C5)Br

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=S)NC(=O)C4=CC=C(O4)C5=CC=C(C=C5)Br

InChI

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