N-(1-adamantylcarbamothioyl)-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enamide

Systemtic Name: N-(1-adamantylcarbamothioyl)-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enamide Openeye Name: N-(1-adamantylcarbamothioyl)-3-[5-(4-chlorophenyl)-2-furyl]prop-2-enamide CAS Name: N-[(1-adamantylamino)-sulfanylidenemethyl]-3-[5-(4-chlorophenyl)-2-furanyl]-2-propenamide IUPAC Name: N-(1-adamantylcarbamothioyl)-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enamide Traditional Name: N-(1-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)(C3)NC(=S)NC(=O)C=CC4=CC=C(O4)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=S)NC(=O)C=CC4=CC=C(O4)C5=CC=C(C=C5)Cl

InChI

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