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

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

Click to see the large picture

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