N-(2-adamantylcarbamothioyl)-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enamide

Systemtic Name: N-(2-adamantylcarbamothioyl)-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enamide Openeye Name: N-(2-adamantylcarbamothioyl)-3-[5-(4-chlorophenyl)-2-furyl]prop-2-enamide CAS Name: N-[(2-adamantylamino)-sulfanylidenemethyl]-3-[5-(4-chlorophenyl)-2-furanyl]-2-propenamide IUPAC Name: N-(2-adamantylcarbamothioyl)-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enamide Traditional Name: N-(2-adamantylthiocarbamoyl)-3-[5-(4-chlorophenyl)-2-furyl]acrylamide Formula: C24H25ClN2O2S MolecularWeight: 440.9855

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=S)NC(=O)C=CC4=CC=C(O4)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=S)NC(=O)C=CC4=CC=C(O4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C24H25ClN2O2S/c25-19-3-1-16(2-4-19)21-7-5-20(29-21)6-8-22(28)26-24(30)27-23-17-10-14-9-15(12-17)13-18(23)11-14/h1-8,14-15,17-18,23H,9-13H2,(H2,26,27,28,30)