N-(1-adamantylcarbamothioyl)-5-[2,3-bis(chloranyl)phenyl]furan-2-carboxamide

Systemtic Name: N-(1-adamantylcarbamothioyl)-5-[2,3-bis(chloranyl)phenyl]furan-2-carboxamide Openeye Name: N-(1-adamantylcarbamothioyl)-5-(2,3-dichlorophenyl)furan-2-carboxamide CAS Name: N-[(1-adamantylamino)-sulfanylidenemethyl]-5-(2,3-dichlorophenyl)-2-furancarboxamide IUPAC Name: N-(1-adamantylcarbamothioyl)-5-(2,3-dichlorophenyl)furan-2-carboxamide Traditional Name: N-(1-adamantylthiocarbamoyl)-5-(2,3-dichlorophenyl)-2-furamide Formula: C22H22Cl2N2O2S MolecularWeight: 449.39328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22Cl2N2O2S/c23-16-3-1-2-15(19(16)24)17-4-5-18(28-17)20(27)25-21(29)26-22-9-12-6-13(10-22)8-14(7-12)11-22/h1-5,12-14H,6-11H2,(H2,25,26,27,29)